1-(4-methylpentyl)-1-oxidanidyl-4-phenylazanyl-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride

Systemtic Name: 1-(4-methylpentyl)-1-oxidanidyl-4-phenylazanyl-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride Openeye Name: 4-anilino-1-isohexyl-1-oxido-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride CAS Name: 4-anilino-1-(4-methylpentyl)-1-oxido-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride IUPAC Name: 4-anilino-1-(4-methylpentyl)-1-oxido-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride Traditional Name: 4-anilino-1-isohexyl-1-oxido-3-(1H-pyrrol-3-yl)-2,3-dihydropyridin-1-ium-6-one chloride Formula: C21H27ClN3O2- MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC[N+]1(CC(C(=CC1=O)NC2=CC=CC=C2)C3=CNC=C3)[O-].[Cl-]

Isomeric SMILES

CC(C)CCC[N+]1(CC(C(=CC1=O)NC2=CC=CC=C2)C3=CNC=C3)[O-].[Cl-]

InChI

InChI=1S/C21H27N3O2.ClH/c1-16(2)7-6-12-24(26)15-19(17-10-11-22-14-17)20(13-21(24)25)23-18-8-4-3-5-9-18;/h3-5,8-11,13-14,16,19,22-23H,6-7,12,15H2,1-2H3;1H/p-1