N-[3-[[(3-carbamimidoylphenyl)amino]diazenyl]-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl]ethanamide

Systemtic Name: N-[3-[[(3-carbamimidoylphenyl)amino]diazenyl]-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl]ethanamide Openeye Name: N-[3-(3-carbamimidoylanilino)azo-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl]acetamide CAS Name: N-[3-(3-carbamimidoylanilino)azo-5-ethyl-6-phenyl-8-phenanthridin-5-iumyl]acetamide IUPAC Name: N-[3-[(3-carbamimidoylanilino)diazenyl]-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]acetamide Traditional Name: N-[3-(3-amidinoanilino)azo-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl]acetamide Formula: C30H28N7O+ MolecularWeight: 502.58962

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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)C)N=NNC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)C)N=NNC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C30H27N7O/c1-3-37-28-18-24(35-36-34-23-11-7-10-21(16-23)30(31)32)13-15-26(28)25-14-12-22(33-19(2)38)17-27(25)29(37)20-8-5-4-6-9-20/h4-18H,3H2,1-2H3,(H4,31,32,33,38)/p+1