[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCC23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NCC23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C24H36N2O3/c1-16-5-21(28-3)22(29-4)9-20(16)13-26(2)14-23(27)25-15-24-10-17-6-18(11-24)8-19(7-17)12-24/h5,9,17-19H,6-8,10-15H2,1-4H3,(H,25,27)/p+1