N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-homoveratryl-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)OC

InChI

InChI=1S/C22H30N4O3/c1-28-20-7-6-18(15-21(20)29-2)8-10-24-22(27)17-26-13-11-25(12-14-26)16-19-5-3-4-9-23-19/h3-7,9,15H,8,10-14,16-17H2,1-2H3,(H,24,27)/p+1