(2Z)-2-[3-[5,6-bis(chloranyl)-1,3-diethyl-benzimidazol-3-ium-2-yl]prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate

Systemtic Name: (2Z)-2-[3-[5,6-bis(chloranyl)-1,3-diethyl-benzimidazol-3-ium-2-yl]prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate Openeye Name: (2Z)-2-[3-(5,6-dichloro-1,3-diethyl-benzimidazol-3-ium-2-yl)prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate CAS Name: (2Z)-2-[3-(5,6-dichloro-1,3-diethyl-2-benzimidazol-3-iumyl)prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate IUPAC Name: (2Z)-2-[3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate Traditional Name: (2Z)-2-[3-(5,6-dichloro-1,3-diethyl-benzimidazol-3-ium-2-yl)prop-2-ynylidene]-3-ethyl-1,3-benzothiazole perchlorate Formula: C23H22Cl3N3O4S MolecularWeight: 542.86248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC#CC3=[N+](C4=CC(=C(C=C4N3CC)Cl)Cl)CC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C#CC3=[N+](C4=CC(=C(C=C4N3CC)Cl)Cl)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H22Cl2N3S.ClHO4/c1-4-26-19-14-16(24)17(25)15-20(19)27(5-2)22(26)12-9-13-23-28(6-3)18-10-7-8-11-21(18)29-23;2-1(3,4)5/h7-8,10-11,13-15H,4-6H2,1-3H3;(H,2,3,4,5)/q+1;/p-1