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

Systemtic Name: 2-chloranyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: 2-chloro-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]isonicotinamide Formula: C18H20Cl2N3O+ MolecularWeight: 365.2769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C18H19Cl2N3O/c19-15-5-3-13(4-6-15)11-23-9-1-2-16(12-23)22-18(24)14-7-8-21-17(20)10-14/h3-8,10,16H,1-2,9,11-12H2,(H,22,24)/p+1/t16-/m0/s1