N-[4-(cyanomethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[4-(3-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(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)CC#N

InChI

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