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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(3-nitroanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(3-nitroanilino)ethyl]ammonium Formula: C16H17ClN3O3S+ MolecularWeight: 366.84248

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN3O3S/c1-2-8-19(10-14-6-7-15(17)24-14)11-16(21)18-12-4-3-5-13(9-12)20(22)23/h2-7,9H,1,8,10-11H2,(H,18,21)/p+1