2-[(3,4-dimethylphenyl)amino]-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one

Systemtic Name: 2-[(3,4-dimethylphenyl)amino]-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 2-(3,4-dimethylanilino)-3-(2-thienylmethyl)-1,5-dihydroimidazol-3-ium-4-one CAS Name: 2-(3,4-dimethylanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 2-(3,4-dimethylanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 2-(3,4-dimethylanilino)-3-(2-thenyl)-2-imidazolin-3-ium-4-one Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC=CS3)C

InChI

InChI=1S/C16H17N3OS/c1-11-5-6-13(8-12(11)2)18-16-17-9-15(20)19(16)10-14-4-3-7-21-14/h3-8H,9-10H2,1-2H3,(H,17,18)/p+1