N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-pyridine-4-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-pyridine-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-pyridine-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-4-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methylpyridine-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-isonicotinamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CC=NC=C3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H26ClN3O/c1-24(21(26)19-8-11-23-12-9-19)15-18-3-2-13-25(16-18)14-10-17-4-6-20(22)7-5-17/h4-9,11-12,18H,2-3,10,13-16H2,1H3/p+1/t18-/m1/s1