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

Systemtic Name: 7-methyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N4O3S2+ MolecularWeight: 417.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H20N4O3S2/c1-14-4-6-17-21-15(10-19(24)23(17)12-14)13-27-18-7-5-16(11-20-18)28(25,26)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3/p+1