(3S)-N-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-veratrylpiperidin-1-ium-3-carboxamide Formula: C15H23N2O3+ MolecularWeight: 279.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH2+]C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@H]2CCC[NH2+]C2)OC

InChI

InChI=1S/C15H22N2O3/c1-19-13-6-5-11(8-14(13)20-2)9-17-15(18)12-4-3-7-16-10-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1