diethyl-[[4-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[(3S)-1-(2-thenoyl)nipecotoyl]amino]methyl]benzyl]ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-3-25(4-2)16-19-11-9-18(10-12-19)15-24-22(27)20-7-5-13-26(17-20)23(28)21-8-6-14-29-21/h6,8-12,14,20H,3-5,7,13,15-17H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1