6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate

Systemtic Name: 6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Openeye Name: 6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate CAS Name: 6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]hexanoate IUPAC Name: 6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Traditional Name: 6-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)[O-]

InChI

InChI=1S/C24H24N2O2S/c1-25-21-11-6-7-12-22(21)29-23(25)17-18-14-16-26(15-8-2-3-13-24(27)28)20-10-5-4-9-19(18)20/h4-7,9-12,14,16-17H,2-3,8,13,15H2,1H3