ethyl 4-[(1,5-dimethylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1,5-dimethylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1,5-dimethylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1,5-dimethyl-2-benzimidazolyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,5-dimethylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1,5-dimethylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(N2C)C=CC(=C3)C

InChI

InChI=1S/C17H24N4O2/c1-4-23-17(22)21-9-7-20(8-10-21)12-16-18-14-11-13(2)5-6-15(14)19(16)3/h5-6,11H,4,7-10,12H2,1-3H3/p+1