6-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 6-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O3S2+ MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O3S2/c1-15-6-5-7-18-22-16(12-20(25)24(15)18)14-28-19-9-8-17(13-21-19)29(26,27)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3/p+1