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

Systemtic Name: 6-[4-[(Z)-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Openeye Name: 6-[4-[(Z)-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate CAS Name: 6-[4-[(Z)-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]hexanoate IUPAC Name: 6-[4-[(Z)-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Traditional Name: 6-[4-[(Z)-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]hexanoate Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S/c1-25-21-11-10-18(27(30)31)16-22(21)32-23(25)15-17-12-14-26(13-6-2-3-9-24(28)29)20-8-5-4-7-19(17)20/h4-5,7-8,10-12,14-16H,2-3,6,9,13H2,1H3