4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline perchlorate

Systemtic Name: 4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline perchlorate Openeye Name: 4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethyl-aniline perchlorate CAS Name: 4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethylaniline perchlorate IUPAC Name: 4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline perchlorate Traditional Name: [4-[(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-dimethyl-amine perchlorate Formula: C18H21ClN4O5S MolecularWeight: 440.90114

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H21N4OS.ClHO4/c1-5-22-16-11-10-15(23-4)12-17(16)24-18(22)20-19-13-6-8-14(9-7-13)21(2)3;2-1(3,4)5/h6-12H,5H2,1-4H3;(H,2,3,4,5)/q+1;/p-1