(2S)-1-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[1-[3-[(2-methoxybenzoyl)amino]phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[1-[3-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[1-[3-[(2-methoxybenzoyl)amino]phenyl]piperidin-4-yl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[1-[3-(o-anisoylamino)phenyl]-4-piperidyl]pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCC4C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC[C@H]4C(=O)N

InChI

InChI=1S/C24H30N4O3/c1-31-22-10-3-2-8-20(22)24(30)26-17-6-4-7-19(16-17)27-14-11-18(12-15-27)28-13-5-9-21(28)23(25)29/h2-4,6-8,10,16,18,21H,5,9,11-15H2,1H3,(H2,25,29)(H,26,30)/p+1/t21-/m0/s1