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

Systemtic Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4aH-quinolin-1-ium-2-imine Openeye Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4aH-quinolin-1-ium-2-imine CAS Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-4aH-quinolin-1-ium-2-imine IUPAC Name: 1-methyl-N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-4aH-quinolin-1-ium-2-imine Traditional Name: (E)-(1-methyl-4aH-quinolin-1-ium-2-ylidene)-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]amine Formula: C18H17N5S+2 MolecularWeight: 335.42608

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5S/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/h3-13H,1-2H3/q+2