2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxidanylidene-3-[2-(trimethylazaniumyl)ethoxy]propyl]-22,23-dihydroporphyrin-2-yl]propanoyloxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxidanylidene-3-[2-(trimethylazaniumyl)ethoxy]propyl]-22,23-dihydroporphyrin-2-yl]propanoyloxy]ethyl-trimethyl-azanium Openeye Name: trimethyl-[2-[3-[3,7,12,17-tetramethyl-18-[3-oxo-3-[2-(trimethylammonio)ethoxy]propyl]-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoyloxy]ethyl]ammonium CAS Name: 2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylammonio)ethoxy]propyl]-22,23-dihydroporphyrin-2-yl]-1-oxopropoxy]ethyl-trimethylammonium IUPAC Name: 2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-22,23-dihydroporphyrin-2-yl]propanoyloxy]ethyl-trimethylazanium Traditional Name: 2-[3-[18-[3-keto-3-[2-(trimethylammonio)ethoxy]propyl]-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphin-2-yl]propanoyloxy]ethyl-trimethyl-ammonium Formula: C44H58N6O4+2 MolecularWeight: 734.96912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C)C)C=C)C)C=C

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C)C)C=C)C)C=C

InChI

InChI=1S/C44H58N6O4/c1-13-31-27(3)35-23-36-29(5)33(15-17-43(51)53-21-19-49(7,8)9)41(47-36)26-42-34(16-18-44(52)54-22-20-50(10,11)12)30(6)38(48-42)25-40-32(14-2)28(4)37(46-40)24-39(31)45-35/h13-14,23-26,45-46H,1-2,15-22H2,3-12H3/q+2