1-(azepan-1-yl)-2-[4-[2-(2-ethylbenzimidazol-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(2-ethylbenzimidazol-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(2-ethylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(2-ethyl-1-benzimidazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(2-ethylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(2-ethylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]ethanone Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5O2/c1-2-21-24-19-9-5-6-10-20(19)28(21)18-23(30)27-15-13-25(14-16-27)17-22(29)26-11-7-3-4-8-12-26/h5-6,9-10H,2-4,7-8,11-18H2,1H3/p+1