[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-methyl-azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl]-methyl-azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-[(2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)C[NH+](C)CC(=O)NC3CC3

InChI

InChI=1S/C18H21FN2O3S/c1-3-24-18(23)17-12(16-13(19)5-4-6-14(16)25-17)9-21(2)10-15(22)20-11-7-8-11/h4-6,11H,3,7-10H2,1-2H3,(H,20,22)/p+1