(3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-methoxy-5-methylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-methoxy-5-methylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C14H20N2O2/c1-10-5-6-13(18-2)12(8-10)16-14(17)11-4-3-7-15-9-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1