[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azanium Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl]-propyl-[[2-(2-thienyl)oxazol-4-yl]methyl]ammonium CAS Name: [2-(2-methylanilino)-2-oxoethyl]-propyl-[(2-thiophen-2-yl-4-oxazolyl)methyl]ammonium IUPAC Name: [2-(2-methylanilino)-2-oxoethyl]-propyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azanium Traditional Name: [2-keto-2-(o-toluidino)ethyl]-propyl-[[2-(2-thienyl)oxazol-4-yl]methyl]ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=COC(=N1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=COC(=N1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C20H23N3O2S/c1-3-10-23(13-19(24)22-17-8-5-4-7-15(17)2)12-16-14-25-20(21-16)18-9-6-11-26-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,22,24)/p+1