[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O2/c1-26(16-18-5-3-6-22(12-18)29-2)17-23(28)27(8-4-7-25)24-13-19-9-20(14-24)11-21(10-19)15-24/h3,5-6,12,19-21H,4,8-11,13-17H2,1-2H3/p+1