(3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2,5-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(2,5-dimethylbenzyl)piperidin-1-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C15H22N2O/c1-11-5-6-12(2)14(8-11)10-17-7-3-4-13(9-17)15(16)18/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H2,16,18)/p+1/t13-/m1/s1