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

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium Openeye Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC5=C(C=C4)N(C(=O)N5C)C)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC5=C(C=C4)N(C(=O)N5C)C)C

InChI

InChI=1S/C22H31N3O/c1-20-8-16-9-21(2,12-20)14-22(10-16,13-20)23-11-15-5-6-17-18(7-15)25(4)19(26)24(17)3/h5-7,16,23H,8-14H2,1-4H3/p+1/t16?,20-,21+,22?