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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H26N4O2S/c25-18(21-15-8-9-15)14-23-10-12-24(13-11-23)20(26)7-3-6-19-22-16-4-1-2-5-17(16)27-19/h1-2,4-5,15H,3,6-14H2,(H,21,25)/p+1