2-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(1-cyclopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)N3CC[NH+](CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C23H27N5O2/c1-16-13-20(17(2)28(16)19-6-7-19)23(30)26-11-9-25(10-12-26)15-18-14-22(29)27-8-4-3-5-21(27)24-18/h3-5,8,13-14,19H,6-7,9-12,15H2,1-2H3/p+2