1-adamantyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(homoveratrylamino)-2-keto-ethyl]ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H32N2O3/c1-26-19-4-3-15(10-20(19)27-2)5-6-23-21(25)14-24-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-4,10,16-18,24H,5-9,11-14H2,1-2H3,(H,23,25)/p+1