2-[(E)-2-(3-chloranyl-2-ethyl-isoindol-1-yl)ethenyl]-3-ethyl-2H-1,3-benzothiazole perchlorate

Systemtic Name: 2-[(E)-2-(3-chloranyl-2-ethyl-isoindol-1-yl)ethenyl]-3-ethyl-2H-1,3-benzothiazole perchlorate Openeye Name: 2-[(E)-2-(3-chloro-2-ethyl-isoindol-1-yl)vinyl]-3-ethyl-2H-1,3-benzothiazole perchlorate CAS Name: 2-[(E)-2-(3-chloro-2-ethyl-1-isoindolyl)ethenyl]-3-ethyl-2H-1,3-benzothiazole perchlorate IUPAC Name: 2-[(E)-2-(3-chloro-2-ethylisoindol-1-yl)ethenyl]-3-ethyl-2H-1,3-benzothiazole perchlorate Traditional Name: 2-[(E)-2-(3-chloro-2-ethyl-isoindol-1-yl)vinyl]-3-ethyl-2H-1,3-benzothiazole perchlorate Formula: C21H21Cl2N2O4S- MolecularWeight: 468.37344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)C=CC3=C4C=CC=CC4=C(N3CC)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)/C=C/C3=C4C=CC=CC4=C(N3CC)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H21ClN2S.ClHO4/c1-3-23-18-11-7-8-12-19(18)25-20(23)14-13-17-15-9-5-6-10-16(15)21(22)24(17)4-2;2-1(3,4)5/h5-14,20H,3-4H2,1-2H3;(H,2,3,4,5)/p-1/b14-13+;