3-[[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(3S)-1-(4-chlorobenzoyl)nipecotoyl]amino]propyl]-methyl-ammonium Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H30ClN3O2/c1-27(17-19-7-3-2-4-8-19)15-6-14-26-23(29)21-9-5-16-28(18-21)24(30)20-10-12-22(25)13-11-20/h2-4,7-8,10-13,21H,5-6,9,14-18H2,1H3,(H,26,29)/p+1/t21-/m0/s1