2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)18-7-9-20(10-8-18)31(29,30)26-14-12-25(13-15-26)17-19-16-22(28)27-11-5-4-6-21(27)24-19/h4-11,16H,12-15,17H2,1-3H3/p+1