diethyl-[(1S)-1-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidin-3-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: [(1S)-2-[[[(3S)-1-[anilino(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[[(3S)-1-(phenylcarbamoyl)nipecotoyl]amino]ethyl]ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1CCCN(C1)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-3-28(4-2)23(20-12-7-5-8-13-20)18-26-24(30)21-14-11-17-29(19-21)25(31)27-22-15-9-6-10-16-22/h5-10,12-13,15-16,21,23H,3-4,11,14,17-19H2,1-2H3,(H,26,30)(H,27,31)/p+1/t21-,23+/m0/s1