tert-butyl 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-14-10-16-17(11-15(14)2)23(12-20-16)13-21-6-8-22(9-7-21)18(24)25-19(3,4)5/h10-12H,6-9,13H2,1-5H3/p+1