(5-chloranylthiophen-2-yl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(veratrylamino)ethyl]ammonium Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3S/c1-4-9-22(12-15-6-8-18(20)26-15)13-19(23)21-11-14-5-7-16(24-2)17(10-14)25-3/h4-8,10H,1,9,11-13H2,2-3H3,(H,21,23)/p+1