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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O3/c1-3-29-19-7-6-18(16-20(19)30-4-2)8-11-23-21(28)17-26-12-14-27(15-13-26)22-24-9-5-10-25-22/h5-7,9-10,16H,3-4,8,11-15,17H2,1-2H3,(H,23,28)/p+1