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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-homoveratryl-2-piperazin-1-ium-1-yl-acetamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCNCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCNCC2)OC

InChI

InChI=1S/C16H25N3O3/c1-21-14-4-3-13(11-15(14)22-2)5-6-18-16(20)12-19-9-7-17-8-10-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)/p+1