di(propan-2-yl)-[2-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]ethyl]azanium

Systemtic Name: di(propan-2-yl)-[2-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]ethyl]azanium Openeye Name: diisopropyl-[2-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: 2-[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: di(propan-2-yl)-[2-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]ethyl]azanium Traditional Name: diisopropyl-[2-[[(3S)-1-(2-thenoyl)nipecotoyl]amino]ethyl]ammonium Formula: C19H32N3O2S+ MolecularWeight: 366.54128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S/c1-14(2)22(15(3)4)11-9-20-18(23)16-7-5-10-21(13-16)19(24)17-8-6-12-25-17/h6,8,12,14-16H,5,7,9-11,13H2,1-4H3,(H,20,23)/p+1/t16-/m0/s1