2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C24H30N5O3S+ MolecularWeight: 468.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N5O3S/c1-17-7-8-20(32-2)19(13-17)26-22(30)14-25-23(31)15-28-9-11-29(12-10-28)16-24-27-18-5-3-4-6-21(18)33-24/h3-8,13H,9-12,14-16H2,1-2H3,(H,25,31)(H,26,30)/p+1