[(3S,4S)-3-(5,6-dimethylbenzimidazol-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(5,6-dimethylbenzimidazol-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(5,6-dimethylbenzimidazol-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(5,6-dimethyl-1-benzimidazolyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(5,6-dimethylbenzimidazol-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(5,6-dimethylbenzimidazol-1-yl)-1-propyl-butyl]ammonium Formula: C16H26N3+ MolecularWeight: 260.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1C=NC2=C1C=C(C(=C2)C)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)N1C=NC2=C1C=C(C(=C2)C)C)[NH3+]

InChI

InChI=1S/C16H25N3/c1-5-7-13(17)15(6-2)19-10-18-14-8-11(3)12(4)9-16(14)19/h8-10,13,15H,5-7,17H2,1-4H3/p+1/t13-,15-/m0/s1