N-(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)-6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanamide

Systemtic Name: N-(3-azanyl-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)-6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanamide Openeye Name: N-(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide CAS Name: N-(3-amino-5-ethyl-6-phenyl-8-phenanthridin-5-iumyl)-6-(2,5-dioxo-1-pyrrolyl)hexanamide IUPAC Name: N-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide Traditional Name: N-(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)-6-maleimido-hexanamide Formula: C31H31N4O3+ MolecularWeight: 507.60284

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)CCCCCN5C(=O)C=CC5=O)N

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)CCCCCN5C(=O)C=CC5=O)N

InChI

InChI=1S/C31H30N4O3/c1-2-34-27-19-22(32)12-14-25(27)24-15-13-23(20-26(24)31(34)21-9-5-3-6-10-21)33-28(36)11-7-4-8-18-35-29(37)16-17-30(35)38/h3,5-6,9-10,12-17,19-20,32H,2,4,7-8,11,18H2,1H3,(H,33,36)/p+1