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

Systemtic Name: 7-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-methyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C=C1

InChI

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