4-(benzimidazol-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide

Systemtic Name: 4-(benzimidazol-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide CAS Name: 4-(1-benzimidazolyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]benzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]benzamide Traditional Name: 4-(benzimidazol-1-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzamide Formula: C27H30N5O+ MolecularWeight: 440.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54)C

InChI

InChI=1S/C27H29N5O/c1-3-30-14-16-31(17-15-30)23-12-13-24(20(2)18-23)29-27(33)21-8-10-22(11-9-21)32-19-28-25-6-4-5-7-26(25)32/h4-13,18-19H,3,14-17H2,1-2H3,(H,29,33)/p+1