[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N2O3/c1-25(13-16-4-5-20(27-2)21(9-16)28-3)14-22(26)24-15-23-10-17-6-18(11-23)8-19(7-17)12-23/h4-5,9,17-19H,6-8,10-15H2,1-3H3,(H,24,26)/p+1