4-[[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-ethoxynicotinoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O2/c1-2-26-19-18(4-3-9-22-19)20(25)24-12-10-23(11-13-24)15-17-7-5-16(14-21)6-8-17/h3-9H,2,10-13,15H2,1H3/p+1