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

Systemtic Name: cycloheptyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-hydroxy-ethoxy]phenyl]methyl]ammonium CAS Name: cycloheptyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-hydroxyethoxy]phenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-hydroxyethoxy]phenyl]methyl]azanium Traditional Name: cycloheptyl-[4-[(2S)-2-hydroxy-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethoxy]benzyl]ammonium Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)C[NH2+]C4CCCCCC4)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](COC3=CC=C(C=C3)C[NH2+]C4CCCCCC4)O)N(C1=O)C

InChI

InChI=1S/C25H33N3O3/c1-27-22-14-11-19(15-23(22)28(2)25(27)30)24(29)17-31-21-12-9-18(10-13-21)16-26-20-7-5-3-4-6-8-20/h9-15,20,24,26,29H,3-8,16-17H2,1-2H3/p+1/t24-/m1/s1