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

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H23FNO2S+ MolecularWeight: 372.476223

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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=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H22FNO2S/c1-4-25-21(24)20-16(19-17(22)10-7-11-18(19)26-20)13-23(3)12-15-9-6-5-8-14(15)2/h5-11H,4,12-13H2,1-3H3/p+1