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

Systemtic Name: N-(2,6-dimethylphenyl)-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Openeye Name: N-(2,6-dimethylphenyl)-3-oxo-2-(2-thienylmethyl)-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide CAS Name: N-(2,6-dimethylphenyl)-3-oxo-2-(thiophen-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide IUPAC Name: N-(2,6-dimethylphenyl)-3-oxo-2-(thiophen-2-ylmethyl)-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Traditional Name: N-(2,6-dimethylphenyl)-3-keto-2-(2-thenyl)-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide Formula: C22H22IN3O2S MolecularWeight: 519.39845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2C3=CC=CC=[N+]3CC(=O)N2CC4=CC=CS4.[I-]

InChI

InChI=1S/C22H21N3O2S.HI/c1-15-7-5-8-16(2)20(15)23-22(27)21-18-10-3-4-11-24(18)14-19(26)25(21)13-17-9-6-12-28-17;/h3-12,21H,13-14H2,1-2H3;1H