1-[[3,5-dimethyl-4-(3-oxidanylidene-3-piperidin-1-yl-propyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one

Systemtic Name: 1-[[3,5-dimethyl-4-(3-oxidanylidene-3-piperidin-1-yl-propyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Openeye Name: 1-[[3,5-dimethyl-4-[3-oxo-3-(1-piperidyl)propyl]-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one CAS Name: 1-[[3,5-dimethyl-4-[3-oxo-3-(1-piperidinyl)propyl]-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one IUPAC Name: 1-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Traditional Name: 1-[[4-(3-keto-3-piperidino-propyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)N2CCCCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)N2CCCCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2/c1-16-19(10-11-22(27)25-12-6-3-7-13-25)17(2)24-20(16)15-26-21-9-5-4-8-18(21)14-23(26)28/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3/p+1