(5-chloranylthiophen-2-yl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]ammonium Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl)C

InChI

InChI=1S/C18H20ClN3O3S/c1-4-9-21(10-14-6-8-16(19)26-14)11-17(23)20-18-13(3)12(2)5-7-15(18)22(24)25/h4-8H,1,9-11H2,2-3H3,(H,20,23)/p+1