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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium Openeye Name: (2-benzyloxy-1-naphthyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxy-1-naphthalenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium Traditional Name: (2-benzoxy-1-naphthyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C30H36NO+ MolecularWeight: 426.61294

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=C(C=CC5=CC=CC=C54)OCC6=CC=CC=C6)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=C(C=CC5=CC=CC=C54)OCC6=CC=CC=C6)C

InChI

InChI=1S/C30H35NO/c1-28-14-23-15-29(2,19-28)21-30(16-23,20-28)31-17-26-25-11-7-6-10-24(25)12-13-27(26)32-18-22-8-4-3-5-9-22/h3-13,23,31H,14-21H2,1-2H3/p+1/t23?,28-,29+,30?