1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O/c1-13(2)18(23)21-7-5-20(6-8-21)12-22-11-19-16-9-14(3)15(4)10-17(16)22/h9-11,13H,5-8,12H2,1-4H3/p+1