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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-27-20-6-5-17(14-21(20)28-2)7-11-24-22(26)19-8-12-25(13-9-19)16-18-4-3-10-23-15-18/h3-6,10,14-15,19H,7-9,11-13,16H2,1-2H3,(H,24,26)/p+1