6-methyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 6-methyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H23N4O4S2+ MolecularWeight: 471.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H22N4O4S2/c1-15-6-5-7-20-23-16(12-21(27)26(15)20)14-31-22-24-18-13-17(8-9-19(18)30-22)32(28,29)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3/p+1