1-adamantyl-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-ethoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-allyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-allyloxy-3-ethoxy-benzyl)ammonium Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC=C

InChI

InChI=1S/C22H31NO2/c1-3-7-25-20-6-5-16(11-21(20)24-4-2)15-23-22-12-17-8-18(13-22)10-19(9-17)14-22/h3,5-6,11,17-19,23H,1,4,7-10,12-15H2,2H3/p+1