2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]acetamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)CN(C)C(=O)CC3C(=O)NCC[NH+]3CC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)CN(C)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC(C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-14-7-6-8-15-19(14)24-17(23-15)12-25(5)18(27)11-16-20(28)22-9-10-26(16)13-21(2,3)4/h6-8,16H,9-13H2,1-5H3,(H,22,28)(H,23,24)/p+1/t16-/m1/s1