ethyl 6-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]hexanoate

Systemtic Name: ethyl 6-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]hexanoate Openeye Name: ethyl 6-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]hexanoate CAS Name: 6-[3,8-bis(ethoxycarbonylamino)-6-phenyl-5-phenanthridin-5-iumyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3,8-bis(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-5-yl]hexanoate Traditional Name: 6-[3,8-bis(carbethoxyamino)-6-phenyl-phenanthridin-5-ium-5-yl]hexanoic acid ethyl ester Formula: C33H38N3O6+ MolecularWeight: 572.67132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N3O6/c1-4-40-30(37)15-11-8-12-20-36-29-22-25(35-33(39)42-6-3)17-19-27(29)26-18-16-24(34-32(38)41-5-2)21-28(26)31(36)23-13-9-7-10-14-23/h7,9-10,13-14,16-19,21-22H,4-6,8,11-12,15,20H2,1-3H3,(H,34,38)/p+1