2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(6-chloronicotinoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O2/c1-2-15-5-3-4-6-17(15)23-19(26)14-24-9-11-25(12-10-24)20(27)16-7-8-18(21)22-13-16/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)/p+1