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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-4-3-12(11-15(14)21-2)5-10-18-16(19)13-6-8-17-9-7-13/h3-4,11,13,17H,5-10H2,1-2H3,(H,18,19)/p+1