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

Systemtic Name: 1-adamantyl-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium Openeye Name: 1-adamantyl-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]ammonium CAS Name: 1-adamantyl-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium Traditional Name: 1-adamantyl-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)N(C1=O)C

InChI

InChI=1S/C20H27N3O/c1-22-17-4-3-13(8-18(17)23(2)19(22)24)12-21-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16,21H,5-7,9-12H2,1-2H3/p+1