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

Systemtic Name: 9-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H26N4O3S+2 MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S/c1-17-6-5-9-25-20(26)14-19(22-21(17)25)15-23-10-12-24(13-11-23)29(27,28)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+2