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

Systemtic Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1-methyl-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Formula: C22H34N5O+ MolecularWeight: 384.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C22H33N5O/c1-3-26-11-13-27(14-12-26)16-21-24-19-15-18(9-10-20(19)25(21)2)23-22(28)17-7-5-4-6-8-17/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,23,28)/p+1