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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]ammonium Formula: C17H19ClN3O4S+ MolecularWeight: 396.86846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O4S/c1-3-8-20(10-13-5-7-16(18)26-13)11-17(22)19-14-6-4-12(25-2)9-15(14)21(23)24/h3-7,9H,1,8,10-11H2,2H3,(H,19,22)/p+1