[(2S)-heptan-2-yl]-[2-(2-methylbenzimidazol-1-yl)ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[2-(2-methylbenzimidazol-1-yl)ethyl]azanium Openeye Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[2-(2-methyl-1-benzimidazolyl)ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[2-(2-methylbenzimidazol-1-yl)ethyl]azanium Traditional Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[(1S)-1-methylhexyl]ammonium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-4-5-6-9-14(2)18-12-13-20-15(3)19-16-10-7-8-11-17(16)20/h7-8,10-11,14,18H,4-6,9,12-13H2,1-3H3/p+1/t14-/m0/s1