N-[1-methyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-methyl-2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[1-methyl-2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-1-methylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-[(4-benzylpiperazin-4-ium-1-yl)methyl]-1-methyl-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=C1CN4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CN4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-30-25-13-12-23(28-27(33)22-10-6-3-7-11-22)18-24(25)29-26(30)20-32-16-14-31(15-17-32)19-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19-20H2,1H3,(H,28,33)/p+1