2-[(1E,3E)-5-(6-chloranyl-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(1E,3E)-5-(6-chloranyl-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Openeye Name: 2-[(1E,3E)-5-(6-chloro-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium CAS Name: 2-[(1E,3E)-5-(6-chloro-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium IUPAC Name: 2-[(1E,3E)-5-(6-chloro-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Traditional Name: 2-[(1E,3E)-5-(6-chloro-1-methyl-4H-quinolin-4-yl)penta-1,3-dienyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Formula: C25H26ClN2OS+ MolecularWeight: 438.00474

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC=CCC3C=CN(C4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C=C/CC3C=CN(C4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C25H26ClN2OS/c1-4-28-23-17-20(29-3)11-13-24(23)30-25(28)9-7-5-6-8-18-14-15-27(2)22-12-10-19(26)16-21(18)22/h5-7,9-18H,4,8H2,1-3H3/q+1/b6-5+,9-7+