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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C19H21ClN2O/c1-14-11-16(20)7-8-18(14)19(23)15-5-4-10-22(12-15)13-17-6-2-3-9-21-17/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/p+1/t15-/m0/s1