3-[2-azanylidene-3-[(2R)-2-(4-methylphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanylidene-3-[(2R)-2-(4-methylphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-[(2R)-2-hydroxy-2-(p-tolyl)ethyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-imino-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-iminobenzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[3-[(2R)-2-hydroxy-2-(p-tolyl)ethyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N(C2=N)CCC[NH+](C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2C3=CC=CC=C3N(C2=N)CCC[NH+](C)C)O

InChI

InChI=1S/C21H28N4O/c1-16-9-11-17(12-10-16)20(26)15-25-19-8-5-4-7-18(19)24(21(25)22)14-6-13-23(2)3/h4-5,7-12,20,22,26H,6,13-15H2,1-3H3/p+1/t20-/m0/s1