N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[1-methyl-2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[1-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-30-25-13-12-22(28-27(33)21-8-4-2-5-9-21)20-24(25)29-26(30)14-15-31-16-18-32(19-17-31)23-10-6-3-7-11-23/h3,6-7,10-13,20-21H,2,4-5,8-9,14-19H2,1H3,(H,28,33)/p+1