trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinazolin-1-ium-2-yl]butyl]azanium diiodide

Systemtic Name: trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinazolin-1-ium-2-yl]butyl]azanium diiodide Openeye Name: trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinazolin-1-ium-2-yl]butyl]ammonium diiodide CAS Name: trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-quinazolin-1-iumyl]butyl]ammonium diiodide IUPAC Name: trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinazolin-1-ium-2-yl]butyl]azanium diiodide Traditional Name: trimethyl-[4-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-quinazolin-1-ium-2-yl]butyl]ammonium diiodide Formula: C30H34I2N4S MolecularWeight: 736.4917

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=NC(=[N+](C4=CC=CC=C43)C5=CC=CC=C5)CCCC[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=NC(=[N+](C4=CC=CC=C43)C5=CC=CC=C5)CCCC[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C30H34N4S.2HI/c1-32-27-18-10-11-19-28(27)35-30(32)22-25-24-16-8-9-17-26(24)33(23-14-6-5-7-15-23)29(31-25)20-12-13-21-34(2,3)4;;/h5-11,14-19,22H,12-13,20-21H2,1-4H3;2*1H/q+2;;/p-2