2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: 2-[[[(3S)-1-[anilino(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(3S)-1-(phenylcarbamoyl)nipecotoyl]amino]ethyl]ammonium Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)[C@H]1CCCN(C1)C(=O)NC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H34N4O2/c1-16(2)25(17(3)4)14-12-22-20(26)18-9-8-13-24(15-18)21(27)23-19-10-6-5-7-11-19/h5-7,10-11,16-18H,8-9,12-15H2,1-4H3,(H,22,26)(H,23,27)/p+1/t18-/m0/s1