(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C18H19FNO3S+ MolecularWeight: 348.411763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C18H18FNO3S/c1-3-22-18(21)17-13(11-20(2)10-12-6-5-9-23-12)16-14(19)7-4-8-15(16)24-17/h4-9H,3,10-11H2,1-2H3/p+1