[5-(2-chloranylethanoylamino)-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-(2-chloranylethanoylamino)-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[(2-chloroacetyl)amino]-4-ethoxycarbonyl-3-phenyl-2-thienyl]methyl-dimethyl-ammonium CAS Name: [5-[(2-chloro-1-oxoethyl)amino]-4-ethoxycarbonyl-3-phenyl-2-thiophenyl]methyl-dimethylammonium IUPAC Name: [5-[(2-chloroacetyl)amino]-4-ethoxycarbonyl-3-phenylthiophen-2-yl]methyl-dimethylazanium Traditional Name: [4-carbethoxy-5-[(2-chloroacetyl)amino]-3-phenyl-2-thienyl]methyl-dimethyl-ammonium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)NC(=O)CCl

InChI

InChI=1S/C18H21ClN2O3S/c1-4-24-18(23)16-15(12-8-6-5-7-9-12)13(11-21(2)3)25-17(16)20-14(22)10-19/h5-9H,4,10-11H2,1-3H3,(H,20,22)/p+1