[(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C22H32NO+ MolecularWeight: 326.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)OCC=C)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)OCC=C)C

InChI

InChI=1S/C22H31NO/c1-4-9-24-19-7-5-17(6-8-19)13-23-22-12-18-10-20(2,15-22)14-21(3,11-18)16-22/h4-8,18,23H,1,9-16H2,2-3H3/p+1/t18?,20-,21+,22?