[(2S,3S)-2-(5,6-dimethylbenzimidazol-1-yl)pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-(5,6-dimethylbenzimidazol-1-yl)pentan-3-yl]azanium Openeye Name: [(1S,2S)-2-(5,6-dimethylbenzimidazol-1-yl)-1-ethyl-propyl]ammonium CAS Name: [(2S,3S)-2-(5,6-dimethyl-1-benzimidazolyl)pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-(5,6-dimethylbenzimidazol-1-yl)pentan-3-yl]azanium Traditional Name: [(1S,2S)-2-(5,6-dimethylbenzimidazol-1-yl)-1-ethyl-propyl]ammonium Formula: C14H22N3+ MolecularWeight: 232.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3/c1-5-12(15)11(4)17-8-16-13-6-9(2)10(3)7-14(13)17/h6-8,11-12H,5,15H2,1-4H3/p+1/t11-,12-/m0/s1