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

Systemtic Name: (3S)-N-(dicyclopropylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(dicyclopropylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-(dicyclopropylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(dicyclopropylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(dicyclopropylmethyl)nipecotamide Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC(C4CC4)C5CC5

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC(C4CC4)C5CC5

InChI

InChI=1S/C25H37N3O/c29-25(26-24(20-8-9-20)21-10-11-21)22-7-4-14-28(18-22)23-12-15-27(16-13-23)17-19-5-2-1-3-6-19/h1-3,5-6,20-24H,4,7-18H2,(H,26,29)/p+1/t22-/m0/s1