(2Z)-5-chloranyl-3-(2-naphthalen-1-ylethyl)-2-[(1-phenethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-5-chloranyl-3-(2-naphthalen-1-ylethyl)-2-[(1-phenethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-5-chloro-3-[2-(1-naphthyl)ethyl]-2-[(1-phenethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-5-chloro-3-[2-(1-naphthalenyl)ethyl]-2-[(1-phenethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-5-chloro-3-(2-naphthalen-1-ylethyl)-2-[(1-phenethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-5-chloro-3-[2-(1-naphthyl)ethyl]-2-[(1-phenethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C37H30ClN2S+ MolecularWeight: 570.1655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C(C=CC3=CC=CC=C32)C=C4N(C5=C(S4)C=CC(=C5)Cl)CCC6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C(C=CC3=CC=CC=C32)/C=C\4/N(C5=C(S4)C=CC(=C5)Cl)CCC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C37H30ClN2S/c38-31-18-20-36-35(25-31)40(24-22-29-14-8-13-28-11-4-6-15-33(28)29)37(41-36)26-32-19-17-30-12-5-7-16-34(30)39(32)23-21-27-9-2-1-3-10-27/h1-20,25-26H,21-24H2/q+1