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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=[N+](C(=O)CN2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC2=[N+](C(=O)CN2)CC3=CC=CS3

InChI

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