[(1S)-2-[(3,4-dimethylphenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3,4-dimethylphenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3,4-dimethylbenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3,4-dimethylbenzoyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3,4-dimethylbenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H23N2OS+ MolecularWeight: 303.44232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CSC=C2)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CSC=C2)[NH+](C)C)C

InChI

InChI=1S/C17H22N2OS/c1-12-5-6-14(9-13(12)2)17(20)18-10-16(19(3)4)15-7-8-21-11-15/h5-9,11,16H,10H2,1-4H3,(H,18,20)/p+1/t16-/m1/s1