3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-(diacetyloxymethyl)-diethyl-azanium

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-(diacetyloxymethyl)-diethyl-azanium Openeye Name: diacetoxymethyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium CAS Name: diacetyloxymethyl-[3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl]-diethylammonium IUPAC Name: diacetyloxymethyl-[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl]-diethylazanium Traditional Name: diacetoxymethyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium Formula: C31H38N4O4+2 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N)C(OC(=O)C)OC(=O)C

Isomeric SMILES

CC[N+](CC)(CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N)C(OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H37N4O4/c1-5-35(6-2,31(38-21(3)36)39-22(4)37)18-10-17-34-29-20-25(33)14-16-27(29)26-15-13-24(32)19-28(26)30(34)23-11-8-7-9-12-23/h7-9,11-16,19-20,31,33H,5-6,10,17-18,32H2,1-4H3/q+1/p+1