[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5CC5

InChI

InChI=1S/C26H35N3O2/c1-31-24-7-3-19(4-8-24)17-28(23-5-6-23)18-25(30)29(10-2-9-27)26-14-20-11-21(15-26)13-22(12-20)16-26/h3-4,7-8,20-23H,2,5-6,10-18H2,1H3/p+1