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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-methylphenyl)methyl]azanium Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(o-tolylmethyl)ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-methylphenyl)methyl]azanium Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(2-methylbenzyl)ammonium Formula: C20H30N+ MolecularWeight: 284.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C20H29N/c1-15-6-4-5-7-17(15)11-21-20-10-16-8-18(2,13-20)12-19(3,9-16)14-20/h4-7,16,21H,8-14H2,1-3H3/p+1/t16?,18-,19+,20?