(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCCC(C2)C(=O)N)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC[C@@H](C2)C(=O)N)C)OC

InChI

InChI=1S/C16H24N2O2/c1-11-8-15(20-3)12(2)7-14(11)10-18-6-4-5-13(9-18)16(17)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,17,19)/p+1/t13-/m0/s1