(4-chloranyl-2-methyl-phenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C19H22ClN2O+ MolecularWeight: 329.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NC=C3

InChI

InChI=1S/C19H21ClN2O/c1-14-11-17(20)4-5-18(14)19(23)16-3-2-10-22(13-16)12-15-6-8-21-9-7-15/h4-9,11,16H,2-3,10,12-13H2,1H3/p+1/t16-/m0/s1