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

Systemtic Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methoxy]-3-methoxy-benzyl]ammonium Formula: C28H36N3O3+ MolecularWeight: 462.60374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)C[NH2+]C45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)C[NH2+]C45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C

InChI

InChI=1S/C28H35N3O3/c1-30-23-6-4-19(11-24(23)31(2)27(30)32)17-34-25-7-5-18(12-26(25)33-3)16-29-28-13-20-8-21(14-28)10-22(9-20)15-28/h4-7,11-12,20-22,29H,8-10,13-17H2,1-3H3/p+1