2-(2-methylbenzimidazol-1-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium

Systemtic Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium CAS Name: 2-(2-methyl-1-benzimidazolyl)ethyl-[(2S,3S)-3-methylpentan-2-yl]ammonium IUPAC Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-[2-(2-methylbenzimidazol-1-yl)ethyl]ammonium Formula: C16H26N3+ MolecularWeight: 260.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCN1C(=NC2=CC=CC=C21)C

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCN1C(=NC2=CC=CC=C21)C

InChI

InChI=1S/C16H25N3/c1-5-12(2)13(3)17-10-11-19-14(4)18-15-8-6-7-9-16(15)19/h6-9,12-13,17H,5,10-11H2,1-4H3/p+1/t12-,13-/m0/s1