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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CC[NH2+]C)CC(CO)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CC[NH2+]C)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)4-5-16-3/h6-7,12,16,19-20H,4-5,8-9H2,1-3H3/p+1/t12-/m0/s1