(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[2-(3-pyridyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[2-(3-pyridyl)ethyl]nipecotamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCC4=CN=CC=C4

InChI

InChI=1S/C25H34N4O/c30-25(27-14-10-21-8-4-13-26-18-21)23-9-5-15-29(20-23)24-11-16-28(17-12-24)19-22-6-2-1-3-7-22/h1-4,6-8,13,18,23-24H,5,9-12,14-17,19-20H2,(H,27,30)/p+1/t23-/m0/s1