1-adamantyl-[(3-methoxyphenyl)methyl]-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantyl-[(3-methoxyphenyl)methyl]-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(3-methoxyphenyl)methyl]ammonium CAS Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(3-methoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-m-anisyl-ammonium Formula: C28H38NO3+ MolecularWeight: 436.60622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+](CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+](CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C28H37NO3/c1-20-6-3-4-9-27(20)32-19-25(30)18-29(17-21-7-5-8-26(13-21)31-2)28-14-22-10-23(15-28)12-24(11-22)16-28/h3-9,13,22-25,30H,10-12,14-19H2,1-2H3/p+1/t22?,23?,24?,25-,28?/m0/s1