N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H24N4O2/c1-27-20-5-3-2-4-19(20)25-14-12-24(13-15-25)16-21(26)23-18-8-6-17(7-9-18)10-11-22/h2-9H,10,12-16H2,1H3,(H,23,26)/p+1