[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl]-propyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]ammonium CAS Name: [2-(2-methylanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-3-isoxazolyl)methyl]ammonium IUPAC Name: [2-(2-methylanilino)-2-oxoethyl]-propyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [2-keto-2-(o-toluidino)ethyl]-propyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NOC(=C1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=NOC(=C1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3C

InChI

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