N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-15(26)22-17-6-4-5-16(13-17)21(27)25-11-9-24(10-12-25)14-20-23-18-7-2-3-8-19(18)28-20/h2-8,13H,9-12,14H2,1H3,(H,22,26)/p+1