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

Systemtic Name: 2-[(4-ethoxyphenyl)amino]-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 2-(4-ethoxyanilino)-3-(2-thienylmethyl)-1,5-dihydroimidazol-3-ium-4-one CAS Name: 2-(4-ethoxyanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 2-(4-ethoxyanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 2-(p-phenetidino)-3-(2-thenyl)-2-imidazolin-3-ium-4-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC=CS3

InChI

InChI=1S/C16H17N3O2S/c1-2-21-13-7-5-12(6-8-13)18-16-17-10-15(20)19(16)11-14-4-3-9-22-14/h3-9H,2,10-11H2,1H3,(H,17,18)/p+1