(2E)-2-[(2-butyl-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-6-yl)methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: (2E)-2-[(2-butyl-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-6-yl)methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: (2E)-2-[(2-butyl-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-6-yl)methylene]-3-ethyl-1,3-benzothiazole CAS Name: (2E)-2-[(2-butyl-1,3-dimethyl-6-cyclohepta[c]pyrrol-2-iumyl)methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: (2E)-2-[(2-butyl-1,3-dimethylcyclohepta[c]pyrrol-2-ium-6-yl)methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: (2E)-2-[(2-butyl-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-6-yl)methylene]-3-ethyl-1,3-benzothiazole Formula: C25H29N2S+ MolecularWeight: 389.57616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)C=C3N(C4=CC=CC=C4S3)CC)C

Isomeric SMILES

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)/C=C/3\N(C4=CC=CC=C4S3)CC)C

InChI

InChI=1S/C25H29N2S/c1-5-7-16-27-18(3)21-14-12-20(13-15-22(21)19(27)4)17-25-26(6-2)23-10-8-9-11-24(23)28-25/h8-15,17H,5-7,16H2,1-4H3/q+1