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

Systemtic Name: (3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)nipecotamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCCN4C=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCCCN4C=CC=N4

InChI

InChI=1S/C24H35N5O/c30-24(25-12-5-15-29-16-6-13-26-29)22-9-4-14-28(20-22)23-10-17-27(18-11-23)19-21-7-2-1-3-8-21/h1-3,6-8,13,16,22-23H,4-5,9-12,14-15,17-20H2,(H,25,30)/p+1/t22-/m0/s1