(5-chloranylthiophen-2-yl)methyl-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium Formula: C18H20ClN2O3S+ MolecularWeight: 379.881

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-3-10-21(11-15-8-9-16(19)25-15)12-17(22)20-14-6-4-13(5-7-14)18(23)24-2/h3-9H,1,10-12H2,2H3,(H,20,22)/p+1