1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4aH-quinolin-1-ium-2-imine perchlorate

Systemtic Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4aH-quinolin-1-ium-2-imine perchlorate Openeye Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4aH-quinolin-1-ium-2-imine perchlorate CAS Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4aH-quinolin-1-ium-2-imine perchlorate IUPAC Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4aH-quinolin-1-ium-2-imine perchlorate Traditional Name: (E)-(1-methyl-4aH-quinolin-1-ium-2-ylidene)-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]amine perchlorate Formula: C18H17ClN5O4S+ MolecularWeight: 434.87668

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2C=CC1=NN=NC3=[N+](C4=CC=CC=C4S3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]\1=C2C=CC=CC2C=C/C1=N\N=NC3=[N+](C4=CC=CC=C4S3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H17N5S.ClHO4/c1-22-14-8-4-3-7-13(14)11-12-17(22)19-21-20-18-23(2)15-9-5-6-10-16(15)24-18;2-1(3,4)5/h3-13H,1-2H3;(H,2,3,4,5)/q+2;/p-1