N-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-1,3-benzothiazol-2-amine bromide

Systemtic Name: N-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-1,3-benzothiazol-2-amine bromide Openeye Name: N-(p-tolylmethyl)-N-pyridin-1-ium-1-yl-1,3-benzothiazol-2-amine bromide CAS Name: N-[(4-methylphenyl)methyl]-N-(1-pyridin-1-iumyl)-1,3-benzothiazol-2-amine bromide IUPAC Name: N-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-1,3-benzothiazol-2-amine bromide Traditional Name: 1,3-benzothiazol-2-yl-(4-methylbenzyl)-pyridin-1-ium-1-yl-amine bromide Formula: C20H18BrN3S MolecularWeight: 412.34602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2=NC3=CC=CC=C3S2)[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2=NC3=CC=CC=C3S2)[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H18N3S.BrH/c1-16-9-11-17(12-10-16)15-23(22-13-5-2-6-14-22)20-21-18-7-3-4-8-19(18)24-20;/h2-14H,15H2,1H3;1H/q+1;/p-1