[(3S,4S)-3-(2-methylbenzimidazol-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(2-methylbenzimidazol-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-methylbenzimidazol-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-methyl-1-benzimidazolyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-methylbenzimidazol-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-methylbenzimidazol-1-yl)-1-propyl-butyl]ammonium Formula: C15H24N3+ MolecularWeight: 246.37116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1C(=NC2=CC=CC=C21)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)N1C(=NC2=CC=CC=C21)C)[NH3+]

InChI

InChI=1S/C15H23N3/c1-4-8-12(16)14(5-2)18-11(3)17-13-9-6-7-10-15(13)18/h6-7,9-10,12,14H,4-5,8,16H2,1-3H3/p+1/t12-,14-/m0/s1