methyl-[(2S)-3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methyl-1-benzimidazolyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-methyl-ammonium Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(C[NH2+]C)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C[C@H](C[NH2+]C)O

InChI

InChI=1S/C12H17N3O/c1-9-14-11-5-3-4-6-12(11)15(9)8-10(16)7-13-2/h3-6,10,13,16H,7-8H2,1-2H3/p+1/t10-/m0/s1