6-methoxy-3-(quinolin-8-ylmethyl)-1,3-benzothiazol-3-ium-2-amine bromide

Systemtic Name: 6-methoxy-3-(quinolin-8-ylmethyl)-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 6-methoxy-3-(8-quinolylmethyl)-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 6-methoxy-3-(8-quinolinylmethyl)-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 6-methoxy-3-(quinolin-8-ylmethyl)-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [6-methoxy-3-(8-quinolylmethyl)-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=CC=CC4=C3N=CC=C4.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=CC=CC4=C3N=CC=C4.[Br-]

InChI

InChI=1S/C18H15N3OS.BrH/c1-22-14-7-8-15-16(10-14)23-18(19)21(15)11-13-5-2-4-12-6-3-9-20-17(12)13;/h2-10,19H,11H2,1H3;1H