(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)piperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: (3S)-N-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide CAS Name: (3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide Traditional Name: (3S)-N-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carboxamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O2/c1-30-23-12-6-5-11-22(23)27-16-14-26(15-17-27)21-10-7-13-28(19-21)24(29)25-18-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3,(H,25,29)/p+1/t21-/m0/s1