[2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-2-thienyl)amino]-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C18H22FN2O4S+ MolecularWeight: 381.441683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C18H21FN2O4S/c1-4-25-18(23)13-7-8-26-17(13)20-16(22)11-21(2)10-12-5-6-15(24-3)14(19)9-12/h5-9H,4,10-11H2,1-3H3,(H,20,22)/p+1