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

Systemtic Name: (3,4-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (3,4-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (3,4-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (3,4-diethoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (3,4-diethoxybenzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C23H36NO2+ MolecularWeight: 358.53744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OCC

InChI

InChI=1S/C23H35NO2/c1-5-25-19-8-7-17(9-20(19)26-6-2)13-24-23-12-18-10-21(3,15-23)14-22(4,11-18)16-23/h7-9,18,24H,5-6,10-16H2,1-4H3/p+1/t18?,21-,22+,23?