diethyl-[[2-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[(3S)-1-(2-thenoyl)nipecotoyl]amino]methyl]benzyl]ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-3-25(4-2)16-19-10-6-5-9-18(19)15-24-22(27)20-11-7-13-26(17-20)23(28)21-12-8-14-29-21/h5-6,8-10,12,14,20H,3-4,7,11,13,15-17H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1