2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium

Systemtic Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-[5-(1-pyridin-1-iumyl)pentyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-(5-pyridin-1-ium-1-ylpentyl)-1,3-benzothiazol-3-ium Formula: C18H22N2S+2 MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCC[N+]3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C18H22N2S/c1-16-20(17-10-4-5-11-18(17)21-16)15-9-3-8-14-19-12-6-2-7-13-19/h2,4-7,10-13H,3,8-9,14-15H2,1H3/q+2