9-(5-methylcyclohexa-2,4-dien-1-yl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide

Systemtic Name: 9-(5-methylcyclohexa-2,4-dien-1-yl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Openeye Name: 9-(5-methylcyclohexa-2,4-dien-1-yl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide CAS Name: 9-(5-methyl-1-cyclohexa-2,4-dienyl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide IUPAC Name: 9-(5-methylcyclohexa-2,4-dien-1-yl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Traditional Name: 9-(5-methylcyclohexa-2,4-dien-1-yl)pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Formula: C18H16BrNS MolecularWeight: 358.29534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1)C2=C3C(=CC=C2)SC4=CC=CC=[N+]43.[Br-]

Isomeric SMILES

CC1=CC=CC(C1)C2=C3C(=CC=C2)SC4=CC=CC=[N+]43.[Br-]

InChI

InChI=1S/C18H16NS.BrH/c1-13-6-4-7-14(12-13)15-8-5-9-16-18(15)19-11-3-2-10-17(19)20-16;/h2-11,14H,12H2,1H3;1H/q+1;/p-1