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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[(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:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC5=C(C=C4)N(C(=O)N5C)C

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC5=C(C=C4)N(C(=O)N5C)C

InChI

InChI=1S/C22H31N3O/c1-14(22-10-16-6-17(11-22)8-18(7-16)12-22)23-13-15-4-5-19-20(9-15)25(3)21(26)24(19)2/h4-5,9,14,16-18,23H,6-8,10-13H2,1-3H3/p+1/t14-,16?,17?,18?,22?/m1/s1