dimethyl-[(1S)-2-[(phenylmethyl)carbamoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(phenylmethyl)carbamoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzylcarbamoylamino)-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(benzylcarbamoylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)NCC1=CC=CC=C1)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)NCC1=CC=CC=C1)C2=CSC=C2

InChI

InChI=1S/C16H21N3OS/c1-19(2)15(14-8-9-21-12-14)11-18-16(20)17-10-13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3,(H2,17,18,20)/p+1/t15-/m1/s1