(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C20H21FNO2S+ MolecularWeight: 358.449643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H20FNO2S/c1-3-24-20(23)19-15(18-16(21)10-7-11-17(18)25-19)12-22-13(2)14-8-5-4-6-9-14/h4-11,13,22H,3,12H2,1-2H3/p+1/t13-/m1/s1