N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: N-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c22-14-17-6-8-18(9-7-17)16-24-10-12-25(13-11-24)20(26)15-23-21(27)19-4-2-1-3-5-19/h1-9H,10-13,15-16H2,(H,23,27)/p+1