[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C15H17ClN3O3S+ MolecularWeight: 354.83178

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-2-18(9-12-4-3-7-23-12)10-15(20)17-14-6-5-11(19(21)22)8-13(14)16/h3-8H,2,9-10H2,1H3,(H,17,20)/p+1