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

Systemtic Name: 7-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-methyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)C=C1

InChI

InChI=1S/C18H20N4O3S2/c1-14-4-5-16-19-15(11-17(23)22(16)12-14)13-20-6-8-21(9-7-20)27(24,25)18-3-2-10-26-18/h2-5,10-12H,6-9,13H2,1H3/p+1