(4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]methanone Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H19ClN2O3/c1-13-10-16(20)6-7-17(13)18(23)14-4-2-8-21(11-14)19(24)15-5-3-9-22(25)12-15/h3,5-7,9-10,12,14H,2,4,8,11H2,1H3/t14-/m0/s1