cyclohexyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-hydroxy-ethoxy]phenyl]methyl]ammonium CAS Name: cyclohexyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-hydroxyethoxy]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-hydroxyethoxy]phenyl]methyl]azanium Traditional Name: cyclohexyl-[4-[(2S)-2-hydroxy-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethoxy]benzyl]ammonium Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)C[NH2+]C4CCCCC4)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](COC3=CC=C(C=C3)C[NH2+]C4CCCCC4)O)N(C1=O)C

InChI

InChI=1S/C24H31N3O3/c1-26-21-13-10-18(14-22(21)27(2)24(26)29)23(28)16-30-20-11-8-17(9-12-20)15-25-19-6-4-3-5-7-19/h8-14,19,23,25,28H,3-7,15-16H2,1-2H3/p+1/t23-/m1/s1