(2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol IUPAC Name: (2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O

InChI

InChI=1S/C20H25N2O2/c1-14-6-5-7-18(8-14)24-12-17(23)11-22-13-21(4)19-9-15(2)16(3)10-20(19)22/h5-10,13,17,23H,11-12H2,1-4H3/q+1/t17-/m0/s1