(3S)-N-cyclopropyl-1-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C21H31FN3O+ MolecularWeight: 360.488743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3F)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3F)C(=O)NC4CC4

InChI

InChI=1S/C21H30FN3O/c22-20-6-2-1-4-16(20)14-24-12-9-19(10-13-24)25-11-3-5-17(15-25)21(26)23-18-7-8-18/h1-2,4,6,17-19H,3,5,7-15H2,(H,23,26)/p+1/t17-/m0/s1