N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OCC

InChI

InChI=1S/C23H32N4O3/c1-3-29-20-9-8-19(17-21(20)30-4-2)10-12-25-23(28)18-26-13-15-27(16-14-26)22-7-5-6-11-24-22/h5-9,11,17H,3-4,10,12-16,18H2,1-2H3,(H,25,28)/p+2