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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O2/c1-30-23-11-9-21(10-12-23)26-14-16-27(17-15-26)22-8-5-13-28(19-22)24(29)25-18-20-6-3-2-4-7-20/h2-4,6-7,9-12,22H,5,8,13-19H2,1H3,(H,25,29)/p+1/t22-/m0/s1