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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-phenylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-(3-phenylpropyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H34N2O3/c1-29-23-11-10-21(19-24(23)30-2)12-15-26-25(28)22-13-17-27(18-14-22)16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19,22H,6,9,12-18H2,1-2H3,(H,26,28)/p+1