[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C22H26NO3S+ MolecularWeight: 384.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)OCC3=CC=CS3

InChI

InChI=1S/C22H25NO3S/c1-2-25-22-13-17(10-11-21(22)26-16-19-9-6-12-27-19)14-23-15-20(24)18-7-4-3-5-8-18/h3-13,20,23-24H,2,14-16H2,1H3/p+1/t20-/m1/s1