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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-benzyl-acetamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4OS/c25-19(21-14-16-6-2-1-3-7-16)15-23-10-12-24(13-11-23)20-22-17-8-4-5-9-18(17)26-20/h1-9H,10-15H2,(H,21,25)/p+1