2-[4-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-(1-benzyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl)-1,3-benzothiazole CAS Name: 2-[4-phenyl-1-(phenylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]-1,3-benzothiazole IUPAC Name: 2-(1-benzyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl)-1,3-benzothiazole Traditional Name: 2-(1-benzyl-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl)-1,3-benzothiazole Formula: C33H25N2S+ MolecularWeight: 481.63

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)[N+](=C(C=C2C4=CC=CC=C4)C5=NC6=CC=CC=C6S5)CC7=CC=CC=C7

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)[N+](=C(C=C2C4=CC=CC=C4)C5=NC6=CC=CC=C6S5)CC7=CC=CC=C7

InChI

InChI=1S/C33H25N2S/c1-3-11-23(12-4-1)22-35-30(33-34-29-17-9-10-18-31(29)36-33)21-28(24-13-5-2-6-14-24)27-20-19-25-15-7-8-16-26(25)32(27)35/h1-18,21H,19-20,22H2/q+1