4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c21-20(26)17-6-8-18(9-7-17)22-19(25)15-24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,21,26)(H,22,25)/p+1