[(2S)-1-(4-methylphenoxy)-3-phenylmethoxy-propan-2-yl]-propan-2-yl-azanium

Systemtic Name: [(2S)-1-(4-methylphenoxy)-3-phenylmethoxy-propan-2-yl]-propan-2-yl-azanium Openeye Name: [(1S)-1-(benzyloxymethyl)-2-(4-methylphenoxy)ethyl]-isopropyl-ammonium CAS Name: [(2S)-1-(4-methylphenoxy)-3-phenylmethoxypropan-2-yl]-propan-2-ylammonium IUPAC Name: [(2S)-1-(4-methylphenoxy)-3-phenylmethoxypropan-2-yl]-propan-2-ylazanium Traditional Name: [(1S)-1-(benzoxymethyl)-2-(4-methylphenoxy)ethyl]-isopropyl-ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(COCC2=CC=CC=C2)[NH2+]C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](COCC2=CC=CC=C2)[NH2+]C(C)C

InChI

InChI=1S/C20H27NO2/c1-16(2)21-19(14-22-13-18-7-5-4-6-8-18)15-23-20-11-9-17(3)10-12-20/h4-12,16,19,21H,13-15H2,1-3H3/p+1/t19-/m0/s1