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

Systemtic Name: (3S)-1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidine-3-carboxamide CAS Name: (3S)-1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropylpiperidine-3-carboxamide Traditional Name: (3S)-1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-nipecotamide Formula: C21H31ClN3O+ MolecularWeight: 376.94334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C(=O)NC4CC4

InChI

InChI=1S/C21H30ClN3O/c22-18-5-3-16(4-6-18)14-24-12-9-20(10-13-24)25-11-1-2-17(15-25)21(26)23-19-7-8-19/h3-6,17,19-20H,1-2,7-15H2,(H,23,26)/p+1/t17-/m0/s1