1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H26N4O/c1-16-12-21-22(13-17(16)2)26(14-23-21)15-24-8-10-25(11-9-24)20-6-4-19(5-7-20)18(3)27/h4-7,12-14H,8-11,15H2,1-3H3/p+1