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

Systemtic Name: (3S)-N-cyclobutyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclobutyl-piperidine-3-carboxamide CAS Name: (3S)-N-cyclobutyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclobutylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclobutyl-nipecotamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NC4CCC4

InChI

InChI=1S/C22H33N3O/c26-22(23-20-9-4-10-20)19-8-5-13-25(17-19)21-11-14-24(15-12-21)16-18-6-2-1-3-7-18/h1-3,6-7,19-21H,4-5,8-17H2,(H,23,26)/p+1/t19-/m0/s1