3,5-bis(chloranyl)-4-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-N,N-dimethyl-benzenesulfonamide ethanoate

Systemtic Name: 3,5-bis(chloranyl)-4-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-N,N-dimethyl-benzenesulfonamide ethanoate Openeye Name: 3,5-dichloro-4-[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]azo-N,N-dimethyl-benzenesulfonamide acetate CAS Name: 3,5-dichloro-4-[4-[ethyl-[2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]azo-N,N-dimethylbenzenesulfonamide acetate IUPAC Name: 3,5-dichloro-4-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-N,N-dimethylbenzenesulfonamide acetate Traditional Name: 3,5-dichloro-4-[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]azo-N,N-dimethyl-benzenesulfonamide acetate Formula: C25H29Cl2N5O4S MolecularWeight: 566.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)S(=O)(=O)N(C)C)Cl.CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)S(=O)(=O)N(C)C)Cl.CC(=O)[O-]

InChI

InChI=1S/C23H26Cl2N5O2S.C2H4O2/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-23-21(24)16-20(17-22(23)25)33(31,32)28(2)3;1-2(3)4/h5-13,16-17H,4,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1