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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-ethoxyphenyl)methyl]azanium Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-ethoxyphenyl)methyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-ethoxyphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-ethoxyphenyl)methyl]azanium Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-ethoxybenzyl)ammonium Formula: C21H32NO+ MolecularWeight: 314.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO/c1-4-23-18-7-5-16(6-8-18)12-22-21-11-17-9-19(2,14-21)13-20(3,10-17)15-21/h5-8,17,22H,4,9-15H2,1-3H3/p+1/t17?,19-,20+,21?