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

Systemtic Name: 7-methyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-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=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

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

InChI

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