5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium ethanoate

Systemtic Name: 5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium ethanoate Openeye Name: 5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium acetate CAS Name: 5-ethyl-6-phenyl-3,8-bis(1-pyrrolyl)phenanthridin-5-ium acetate IUPAC Name: 5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium acetate Traditional Name: 5-ethyl-6-phenyl-3,8-di(pyrrol-1-yl)phenanthridin-5-ium acetate Formula: C31H27N3O2 MolecularWeight: 473.56498

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N5C=CC=C5)N6C=CC=C6.CC(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N5C=CC=C5)N6C=CC=C6.CC(=O)[O-]

InChI

InChI=1S/C29H24N3.C2H4O2/c1-2-32-28-21-24(31-18-8-9-19-31)13-15-26(28)25-14-12-23(30-16-6-7-17-30)20-27(25)29(32)22-10-4-3-5-11-22;1-2(3)4/h3-21H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1