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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-3-25(4-2)20(18-10-6-5-7-11-18)16-24-22(27)19-12-8-14-26(17-19)23(28)21-13-9-15-29-21/h5-7,9-11,13,15,19-20H,3-4,8,12,14,16-17H2,1-2H3,(H,24,27)/p+1/t19-,20+/m0/s1