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

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-1-methoxy-2-methyl-indol-1-ium-3-yl]ethanamide Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-1-methoxy-2-methyl-indol-1-ium-3-yl]acetamide CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-1-methoxy-2-methyl-3-indol-1-iumyl]acetamide IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-[(4-chlorophenyl)methyl]-1-methoxy-2-methylindol-1-ium-3-yl]acetamide Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-(4-chlorobenzyl)-1-methoxy-2-methyl-indol-1-ium-3-yl]acetamide Formula: C27H25ClN3O3S+ MolecularWeight: 507.0237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([N+]1(CC3=CC=C(C=C3)Cl)OC)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)N

Isomeric SMILES

CC1=C(C2=C([N+]1(CC3=CC=C(C=C3)Cl)OC)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)N

InChI

InChI=1S/C27H24ClN3O3S/c1-17-21(14-26(29)32)22-13-20(34-16-27-30-23-5-3-4-6-25(23)35-27)11-12-24(22)31(17,33-2)15-18-7-9-19(28)10-8-18/h3-13H,14-16H2,1-2H3,(H-,29,32)/p+1