1-[[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-(phenylcarbonyl)amino]propyl-trimethyl-azanium

Systemtic Name: 1-[[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-(phenylcarbonyl)amino]propyl-trimethyl-azanium Openeye Name: 1-[benzoyl-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]amino]propyl-trimethyl-ammonium CAS Name: 1-[benzoyl-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]amino]propyl-trimethylammonium IUPAC Name: 1-[benzoyl-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]amino]propyl-trimethylazanium Traditional Name: 1-[benzoyl-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]amino]propyl-trimethyl-ammonium Formula: C32H41N4O2+ MolecularWeight: 513.69354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C1=C2C=C(C(=NCC)C=C2OC3=CC(=C(C=C31)C)NCC)C)C(=O)C4=CC=CC=C4)[N+](C)(C)C

Isomeric SMILES

CCC(N(C1=C2C=C(C(=NCC)C=C2OC3=CC(=C(C=C31)C)NCC)C)C(=O)C4=CC=CC=C4)[N+](C)(C)C

InChI

InChI=1S/C32H41N4O2/c1-9-30(36(6,7)8)35(32(37)23-15-13-12-14-16-23)31-24-17-21(4)26(33-10-2)19-28(24)38-29-20-27(34-11-3)22(5)18-25(29)31/h12-20,30,33H,9-11H2,1-8H3/q+1