(5-chloranylthiophen-2-yl)methyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(3-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(m-anisidino)ethyl]ammonium Formula: C17H20ClN2O2S+ MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O2S/c1-3-9-20(11-15-7-8-16(18)23-15)12-17(21)19-13-5-4-6-14(10-13)22-2/h3-8,10H,1,9,11-12H2,2H3,(H,19,21)/p+1