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

Systemtic Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium Openeye Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-ammonium CAS Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-5-phenanthridin-5-iumyl]propyl-diethyl-methylammonium IUPAC Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-5-yl]propyl-diethyl-methylazanium Traditional Name: 3-[3,8-bis(carbethoxyamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-ammonium Formula: C33H42N4O4+2 MolecularWeight: 558.71098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O4/c1-6-37(5,7-2)21-13-20-36-30-23-26(35-33(39)41-9-4)17-19-28(30)27-18-16-25(34-32(38)40-8-3)22-29(27)31(36)24-14-11-10-12-15-24/h10-12,14-19,22-23H,6-9,13,20-21H2,1-5H3/p+2