[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C21H23ClNO3S+ MolecularWeight: 404.93022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Cl)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)Cl)OCC3=CC=CS3

InChI

InChI=1S/C21H22ClNO3S/c1-25-20-11-15(12-23-13-19(24)16-6-3-2-4-7-16)10-18(22)21(20)26-14-17-8-5-9-27-17/h2-11,19,23-24H,12-14H2,1H3/p+1/t19-/m1/s1