2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H15N4OS+ MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C17H14N4OS/c1-20(11-16-18-12-6-2-3-7-13(12)23-16)15-10-17(22)21-9-5-4-8-14(21)19-15/h2-10H,11H2,1H3/p+1