1-(azepan-1-yl)-2-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[4-(benzimidazol-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[4-(1-benzimidazolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H31N5O2/c32-25(29-13-5-1-2-6-14-29)19-28-15-17-30(18-16-28)26(33)21-9-11-22(12-10-21)31-20-27-23-7-3-4-8-24(23)31/h3-4,7-12,20H,1-2,5-6,13-19H2/p+1