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

Systemtic Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-chlorobenzyl)-1-(1-methylpiperidin-1-ium-4-yl)nipecotamide Formula: C19H29ClN3O+ MolecularWeight: 350.90606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H28ClN3O/c1-22-10-7-18(8-11-22)23-9-3-5-16(14-23)19(24)21-13-15-4-2-6-17(20)12-15/h2,4,6,12,16,18H,3,5,7-11,13-14H2,1H3,(H,21,24)/p+1/t16-/m0/s1