(2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H23ClN2O2/c1-11-5-4-8-19(10-11)12(2)16(20)18-14-9-13(17)6-7-15(14)21-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,20)/p+1/t11-,12-/m0/s1