(2S)-1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-3-(2-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3[N+](=C2N)C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C3=CC=CC=C3[N+](=C2N)C)O

InChI

InChI=1S/C18H21N3O2/c1-13-7-3-6-10-17(13)23-12-14(22)11-21-16-9-5-4-8-15(16)20(2)18(21)19/h3-10,14,19,22H,11-12H2,1-2H3/p+1/t14-/m0/s1