2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H18N2O3S/c1-13-4-2-5-18-20-14(10-19(22)21(13)18)12-25-15-6-7-16-17(11-15)24-9-3-8-23-16/h2,4-7,10-11H,3,8-9,12H2,1H3/p+1