[(1S)-2-[[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H32N2O4+2 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]CC(C2=CC=CC=C2)[NH+](C)C)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]C[C@H](C2=CC=CC=C2)[NH+](C)C)O)OC

InChI

InChI=1S/C22H30N2O4/c1-16(25)18-10-11-21(22(12-18)27-4)28-15-19(26)13-23-14-20(24(2)3)17-8-6-5-7-9-17/h5-12,19-20,23,26H,13-15H2,1-4H3/p+2/t19-,20+/m0/s1