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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=C(N=CC=C2)Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=C(N=CC=C2)Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O2/c20-18-16(9-4-10-21-18)23-17(25)13-24-11-5-6-14(12-24)19(26)22-15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2,(H,22,26)(H,23,25)/p+1/t14-/m0/s1