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

Systemtic Name: 2-[(4-propan-2-ylphenyl)amino]-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 2-(4-isopropylanilino)-3-(2-thienylmethyl)-1,5-dihydroimidazol-3-ium-4-one CAS Name: 2-(4-propan-2-ylanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 2-(4-propan-2-ylanilino)-3-(thiophen-2-ylmethyl)-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 2-cumidino-3-(2-thenyl)-2-imidazolin-3-ium-4-one Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-12(2)13-5-7-14(8-6-13)19-17-18-10-16(21)20(17)11-15-4-3-9-22-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)/p+1