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

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-12(18(2)10-13-7-8-21-11-13)16(19)17-14-5-4-6-15(9-14)20-3/h4-9,11-12H,10H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1