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

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethylphenyl)methyl]azanium Openeye Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethylphenyl)methyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethylphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethylphenyl)methyl]azanium Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(4-ethylbenzyl)ammonium Formula: C21H32N+ MolecularWeight: 298.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C21H31N/c1-4-16-5-7-17(8-6-16)12-22-21-11-18-9-19(2,14-21)13-20(3,10-18)15-21/h5-8,18,22H,4,9-15H2,1-3H3/p+1/t18?,19-,20+,21?