N-(2,6-dimethylphenyl)-1-methyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide

Systemtic Name: N-(2,6-dimethylphenyl)-1-methyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Openeye Name: N-(2,6-dimethylphenyl)-1-methyl-3-oxo-2-(2-thienylmethyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide CAS Name: N-(2,6-dimethylphenyl)-1-methyl-3-oxo-2-(thiophen-2-ylmethyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide IUPAC Name: N-(2,6-dimethylphenyl)-1-methyl-3-oxo-2-(thiophen-2-ylmethyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Traditional Name: N-(2,6-dimethylphenyl)-3-keto-1-methyl-2-(2-thenyl)-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Formula: C23H24IN3O2S MolecularWeight: 533.42503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4)C.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4)C.[I-]

InChI

InChI=1S/C23H23N3O2S.HI/c1-16-8-6-9-17(2)21(16)24-22(28)23(3)19-11-4-5-12-25(19)15-20(27)26(23)14-18-10-7-13-29-18;/h4-13H,14-15H2,1-3H3;1H