N-(3,4-diethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C20H27N5O3/c1-3-27-17-7-6-16(14-18(17)28-4-2)23-19(26)15-24-10-12-25(13-11-24)20-21-8-5-9-22-20/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,26)/p+1