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

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCN4C=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCN4C=CC=N4

InChI

InChI=1S/C23H33N5O/c29-23(24-12-17-28-14-5-11-25-28)21-8-4-13-27(19-21)22-9-15-26(16-10-22)18-20-6-2-1-3-7-20/h1-3,5-7,11,14,21-22H,4,8-10,12-13,15-19H2,(H,24,29)/p+1/t21-/m0/s1