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

Systemtic Name: N-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]phenyl]acetamide CAS Name: N-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]phenyl]acetamide Traditional Name: N-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]phenyl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-16(27)23-18-8-6-17(7-9-18)14-22(28)26-12-10-25(11-13-26)15-21-24-19-4-2-3-5-20(19)29-21/h2-9H,10-15H2,1H3,(H,23,27)/p+1