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

Systemtic Name: 7-methyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4O5S2+ MolecularWeight: 473.54524

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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)N5CCOCC5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H20N4O5S2/c1-14-2-5-19-22-15(10-20(26)25(19)12-14)13-31-21-23-17-11-16(3-4-18(17)30-21)32(27,28)24-6-8-29-9-7-24/h2-5,10-12H,6-9,13H2,1H3/p+1