2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide

Systemtic Name: 2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide Openeye Name: 2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide CAS Name: 2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide IUPAC Name: 2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide Traditional Name: 2-[(Z)-(2-butyl-1-methyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-ethyl-2H-1,3-benzothiazole iodide Formula: C24H29IN2S MolecularWeight: 504.46993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC2N(C3=CC=CC=C3S2)CC)C4=CC=CC=C4[NH+]1C.[I-]

Isomeric SMILES

CCCCC1=C/C(=C/C2N(C3=CC=CC=C3S2)CC)/C4=CC=CC=C4[NH+]1C.[I-]

InChI

InChI=1S/C24H28N2S.HI/c1-4-6-11-19-16-18(20-12-7-8-13-21(20)25(19)3)17-24-26(5-2)22-14-9-10-15-23(22)27-24;/h7-10,12-17,24H,4-6,11H2,1-3H3;1H/b18-17-;