(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2/c1-11-6-5-7-20(10-11)13(3)17(21)19-15-8-12(2)14(18)9-16(15)22-4/h8-9,11,13H,5-7,10H2,1-4H3,(H,19,21)/p+1/t11-,13-/m0/s1