N-[3-acetamido-5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[3-acetamido-5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-acetamido-5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-acetamido-5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)NC(=O)C

InChI

InChI=1S/C23H25N5O3S/c1-15(29)24-18-11-17(12-19(13-18)25-16(2)30)23(31)28-9-7-27(8-10-28)14-22-26-20-5-3-4-6-21(20)32-22/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,29)(H,25,30)/p+1