[(1S)-1-[5,6-dimethyl-1-(3-oxidanylpropyl)benzimidazol-2-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[5,6-dimethyl-1-(3-oxidanylpropyl)benzimidazol-2-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-(3-hydroxypropyl)-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[1-(3-hydroxypropyl)-5,6-dimethyl-2-benzimidazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[1-(3-hydroxypropyl)-5,6-dimethylbenzimidazol-2-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(3-hydroxypropyl)-5,6-dimethyl-benzimidazol-2-yl]ethyl]ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)[NH3+])CCCO

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)[NH3+])CCCO

InChI

InChI=1S/C14H21N3O/c1-9-7-12-13(8-10(9)2)17(5-4-6-18)14(16-12)11(3)15/h7-8,11,18H,4-6,15H2,1-3H3/p+1/t11-/m0/s1