7-methyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H21N2O3S+ MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=O)OC4=CC5=C(CCC5)C=C34

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=O)OC4=CC5=C(CCC5)C=C34

InChI

InChI=1S/C23H20N2O3S/c1-14-5-6-21-24-18(10-22(26)25(21)11-14)13-29-12-17-9-23(27)28-20-8-16-4-2-3-15(16)7-19(17)20/h5-11H,2-4,12-13H2,1H3/p+1