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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C16H19ClN3O4S+ MolecularWeight: 384.85776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=C(S2)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC=C(S2)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O4S/c1-10-6-13(20(22)23)14(24-3)7-12(10)18-16(21)9-19(2)8-11-4-5-15(17)25-11/h4-7H,8-9H2,1-3H3,(H,18,21)/p+1