(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-homoveratrylpiperidin-1-ium-3-carboxamide Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-20-14-6-5-12(10-15(14)21-2)7-9-18-16(19)13-4-3-8-17-11-13/h5-6,10,13,17H,3-4,7-9,11H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1