N-(3,4-dimethoxyphenyl)-2-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(2-methyl-1-benzo[e][1,3]benzothiazol-1-iumyl)acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)acetamide Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H20N2O3S/c1-14-24(22-17-7-5-4-6-15(17)8-11-20(22)28-14)13-21(25)23-16-9-10-18(26-2)19(12-16)27-3/h4-12H,13H2,1-3H3/p+1