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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-27-21-12-10-19(14-22(21)28(2)25(27)29)17-31-23-13-11-18(15-24(23)30-3)16-26-20-8-6-4-5-7-9-20/h10-15,20,26H,4-9,16-17H2,1-3H3/p+1