[(1S)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]ammonio]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]ammonio]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]ammonio]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H31ClN2O3+2 MolecularWeight: 394.93544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(COCC1=CC=C(C=C1)Cl)O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]C[C@H](COCC1=CC=C(C=C1)Cl)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H29ClN2O3/c1-24(2)21(17-6-10-20(26-3)11-7-17)13-23-12-19(25)15-27-14-16-4-8-18(22)9-5-16/h4-11,19,21,23,25H,12-15H2,1-3H3/p+2/t19-,21-/m1/s1