1-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C20H19N3O2/c1-14-11-18(15(2)23(14)17-8-4-3-5-9-17)19(24)13-22-10-6-7-16(12-22)20(21)25/h3-12H,13H2,1-2H3,(H-,21,25)/p+1