2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(2-ethoxynicotinoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)OCC

InChI

InChI=1S/C22H28N4O3/c1-3-17-8-5-6-10-19(17)24-20(27)16-25-12-14-26(15-13-25)22(28)18-9-7-11-23-21(18)29-4-2/h5-11H,3-4,12-16H2,1-2H3,(H,24,27)/p+1