N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-pyridine-3-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxy-pyridine-3-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2,6-dimethoxy-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2,6-dimethoxypyridine-3-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2,6-dimethoxy-nicotinamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-10-9-17(20(23-18)27-2)19(25)22-16-4-3-11-24(13-16)12-14-5-7-15(21)8-6-14/h5-10,16H,3-4,11-13H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1