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

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C23H28NO3S+ MolecularWeight: 398.53832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-3-26-22-14-18(11-12-21(22)27-16-20-10-7-13-28-20)15-24-17(2)23(25)19-8-5-4-6-9-19/h4-14,17,23-25H,3,15-16H2,1-2H3/p+1/t17-,23-/m1/s1