[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C22H25ClNO3S+ MolecularWeight: 418.9568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

InChI

InChI=1S/C22H24ClNO3S/c1-15(21(25)17-7-4-3-5-8-17)24-13-16-11-19(23)22(20(12-16)26-2)27-14-18-9-6-10-28-18/h3-12,15,21,24-25H,13-14H2,1-2H3/p+1/t15-,21-/m1/s1