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

Systemtic Name: 6-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 6-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 6-methyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 6-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 6-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=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

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