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

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O2/c1-3-30-23-7-5-19(6-8-23)17-27(2)18-24(29)28(10-4-9-26)25-14-20-11-21(15-25)13-22(12-20)16-25/h5-8,20-22H,3-4,10-18H2,1-2H3/p+1