1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-2-[1-(2,4,6-trimethoxyphenyl)ethenyl]indol-1-ium

Systemtic Name: 1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-2-[1-(2,4,6-trimethoxyphenyl)ethenyl]indol-1-ium Openeye Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-2-[1-(2,4,6-trimethoxyphenyl)vinyl]indol-1-ium CAS Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-2-[1-(2,4,6-trimethoxyphenyl)ethenyl]indol-1-ium IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-2-[1-(2,4,6-trimethoxyphenyl)ethenyl]indol-1-ium Traditional Name: 5-besyl-1-ethyl-3,3-dimethyl-2-[1-(2,4,6-trimethoxyphenyl)vinyl]indol-1-ium Formula: C29H32NO5S+ MolecularWeight: 506.63308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C(=C)C4=C(C=C(C=C4OC)OC)OC

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C(=C)C4=C(C=C(C=C4OC)OC)OC

InChI

InChI=1S/C29H32NO5S/c1-8-30-24-15-14-22(36(31,32)21-12-10-9-11-13-21)18-23(24)29(3,4)28(30)19(2)27-25(34-6)16-20(33-5)17-26(27)35-7/h9-18H,2,8H2,1,3-7H3/q+1