(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C16H23ClN2O2/c1-11-9-14(15(21-3)10-13(11)17)18-16(20)12(2)19-7-5-4-6-8-19/h9-10,12H,4-8H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1