3-[1-[(2S)-2,3-bis(oxidanyl)propyl]-5,6-dimethyl-benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[1-[(2S)-2,3-bis(oxidanyl)propyl]-5,6-dimethyl-benzimidazol-2-yl]propylazanium Openeye Name: 3-[1-[(2S)-2,3-dihydroxypropyl]-5,6-dimethyl-benzimidazol-2-yl]propylammonium CAS Name: 3-[1-[(2S)-2,3-dihydroxypropyl]-5,6-dimethyl-2-benzimidazolyl]propylammonium IUPAC Name: 3-[1-[(2S)-2,3-dihydroxypropyl]-5,6-dimethylbenzimidazol-2-yl]propylazanium Traditional Name: 3-[1-[(2S)-2,3-dihydroxypropyl]-5,6-dimethyl-benzimidazol-2-yl]propylammonium Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])CC(CO)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC[NH3+])C[C@@H](CO)O

InChI

InChI=1S/C15H23N3O2/c1-10-6-13-14(7-11(10)2)18(8-12(20)9-19)15(17-13)4-3-5-16/h6-7,12,19-20H,3-5,8-9,16H2,1-2H3/p+1/t12-/m0/s1