2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-2-methyl-1-phenylmethoxy-indol-1-ium-3-yl]ethanamide

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-2-methyl-1-phenylmethoxy-indol-1-ium-3-yl]ethanamide Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-benzyloxy-1-[(4-chlorophenyl)methyl]-2-methyl-indol-1-ium-3-yl]acetamide CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-2-methyl-1-phenylmethoxy-3-indol-1-iumyl]acetamide IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-2-methyl-1-phenylmethoxyindol-1-ium-3-yl]acetamide Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-benzoxy-1-(4-chlorobenzyl)-2-methyl-indol-1-ium-3-yl]acetamide Formula: C33H29ClN3O3S+ MolecularWeight: 583.11966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([N+]1(CC3=CC=C(C=C3)Cl)OCC4=CC=CC=C4)C=CC(=C2)OCC5=NC6=CC=CC=C6S5)CC(=O)N

Isomeric SMILES

CC1=C(C2=C([N+]1(CC3=CC=C(C=C3)Cl)OCC4=CC=CC=C4)C=CC(=C2)OCC5=NC6=CC=CC=C6S5)CC(=O)N

InChI

InChI=1S/C33H28ClN3O3S/c1-22-27(18-32(35)38)28-17-26(39-21-33-36-29-9-5-6-10-31(29)41-33)15-16-30(28)37(22,19-23-11-13-25(34)14-12-23)40-20-24-7-3-2-4-8-24/h2-17H,18-21H2,1H3,(H-,35,38)/p+1