7-chloranyl-2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-chloranyl-2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-chloro-2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C26H27ClN4O+2 MolecularWeight: 446.97178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25ClN4O/c27-22-11-12-24-28-23(17-25(32)31(24)18-22)19-29-13-15-30(16-14-29)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,26H,13-16,19H2/p+2