2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]-1,3-benzothiazole perchlorate

Systemtic Name: 2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]-1,3-benzothiazole perchlorate Openeye Name: 2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)-1,3-benzothiazole perchlorate CAS Name: 2-[4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumyl]-1,3-benzothiazole perchlorate IUPAC Name: 2-(1-benzyl-4,6-diphenylpyridin-1-ium-2-yl)-1,3-benzothiazole perchlorate Traditional Name: 2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)-1,3-benzothiazole perchlorate Formula: C31H23ClN2O4S MolecularWeight: 555.04332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H23N2S.ClHO4/c1-4-12-23(13-5-1)22-33-28(25-16-8-3-9-17-25)20-26(24-14-6-2-7-15-24)21-29(33)31-32-27-18-10-11-19-30(27)34-31;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1