1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O2/c20-18-16(7-4-10-21-18)23-17(25)13-24-11-8-14(9-12-24)19(26)22-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,22,26)(H,23,25)/p+1