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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]ammonium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-4-9-21(11-14-6-8-17(19)25-14)12-18(22)20-15-10-13(23-2)5-7-16(15)24-3/h4-8,10H,1,9,11-12H2,2-3H3,(H,20,22)/p+1