N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-methylphenyl)carbonylamino]benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-methylphenyl)carbonylamino]benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-methylbenzoyl)amino]benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[(3-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-methylbenzoyl)amino]benzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(m-toluoylamino)benzamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H30N4O2/c1-3-30-15-17-31(18-16-30)25-14-7-6-13-24(25)29-27(33)22-11-4-5-12-23(22)28-26(32)21-10-8-9-20(2)19-21/h4-14,19H,3,15-18H2,1-2H3,(H,28,32)(H,29,33)/p+1