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

Systemtic Name: (2Z)-2-[(1-hexylquinolin-1-ium-4-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole Openeye Name: (2Z)-2-[(1-hexylquinolin-1-ium-4-yl)methylene]-3-methyl-6-nitro-1,3-benzothiazole CAS Name: (2Z)-2-[(1-hexyl-4-quinolin-1-iumyl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole IUPAC Name: (2Z)-2-[(1-hexylquinolin-1-ium-4-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole Traditional Name: (2Z)-2-[(1-hexylquinolin-1-ium-4-yl)methylene]-3-methyl-6-nitro-1,3-benzothiazole Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H26N3O2S/c1-3-4-5-8-14-26-15-13-18(20-9-6-7-10-21(20)26)16-24-25(2)22-12-11-19(27(28)29)17-23(22)30-24/h6-7,9-13,15-17H,3-5,8,14H2,1-2H3/q+1