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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H28N4O2S/c1-2-10-21-18(25)15-23-11-13-24(14-12-23)20(26)9-5-8-19-22-16-6-3-4-7-17(16)27-19/h3-4,6-7H,2,5,8-15H2,1H3,(H,21,25)/p+1