(4-methyl-3-pyrrol-1-yl-phenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone

Systemtic Name: (4-methyl-3-pyrrol-1-yl-phenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Openeye Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone CAS Name: [4-methyl-3-(1-pyrrolyl)phenyl]-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methanone IUPAC Name: (4-methyl-3-pyrrol-1-ylphenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Traditional Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(4-methyl-3-pyrrol-1-yl-phenyl)methanone Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)N3C=CC=C3

InChI

InChI=1S/C20H21N3O/c1-15(2)21-19-8-4-5-13-23(19)20(24)17-10-9-16(3)18(14-17)22-11-6-7-12-22/h4-15H,1-3H3/p+1