1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)pyridin-1-ium-4-ol dichloride

Systemtic Name: 1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)pyridin-1-ium-4-ol dichloride Openeye Name: 1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)pyridin-1-ium-4-ol dichloride CAS Name: 1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)-4-pyridin-1-iumol dichloride IUPAC Name: 1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)pyridin-1-ium-4-ol dichloride Traditional Name: 1-(2-methyl-3-phenyl-1,3-benzothiazol-3-ium-6-yl)pyridin-1-ium-4-ol dichloride Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)[N+]3=CC=C(C=C3)O)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)[N+]3=CC=C(C=C3)O)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C19H15N2OS.2ClH/c1-14-21(15-5-3-2-4-6-15)18-8-7-16(13-19(18)23-14)20-11-9-17(22)10-12-20;;/h2-13H,1H3;2*1H/q+1;;/p-1