[(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(2S)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2S)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+](C)CC2=CSC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C17H22N2O3S/c1-12(19(2)10-13-7-8-23-11-13)17(20)18-15-9-14(21-3)5-6-16(15)22-4/h5-9,11-12H,10H2,1-4H3,(H,18,20)/p+1/t12-/m0/s1