dimethyl-[(1S)-1-phenyl-2-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[(3S)-1-(2-thenoyl)nipecotoyl]amino]ethyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCCN(C1)C(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-23(2)18(16-8-4-3-5-9-16)14-22-20(25)17-10-6-12-24(15-17)21(26)19-11-7-13-27-19/h3-5,7-9,11,13,17-18H,6,10,12,14-15H2,1-2H3,(H,22,25)/p+1/t17-,18+/m0/s1