(2Z)-2-[(E)-3-(1-hexylquinolin-1-ium-4-yl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(E)-3-(1-hexylquinolin-1-ium-4-yl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole Openeye Name: (2Z)-2-[(E)-3-(1-hexylquinolin-1-ium-4-yl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole CAS Name: (2Z)-2-[(E)-3-(1-hexyl-4-quinolin-1-iumyl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole IUPAC Name: (2Z)-2-[(E)-3-(1-hexylquinolin-1-ium-4-yl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole Traditional Name: (2Z)-2-[(E)-3-(1-hexylquinolin-1-ium-4-yl)prop-2-enylidene]-3-methyl-6-nitro-1,3-benzothiazole Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=C(C2=CC=CC=C21)C=CC=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C=C\3/N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H28N3O2S/c1-3-4-5-8-17-28-18-16-20(22-11-6-7-12-23(22)28)10-9-13-26-27(2)24-15-14-21(29(30)31)19-25(24)32-26/h6-7,9-16,18-19H,3-5,8,17H2,1-2H3/q+1