2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[5-(1,3-benzothiazol-2-yl)-1-oxopentyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[5-(1,3-benzothiazol-2-yl)pentanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O2S/c26-19(22-16-9-10-16)15-24-11-13-25(14-12-24)21(27)8-4-3-7-20-23-17-5-1-2-6-18(17)28-20/h1-2,5-6,16H,3-4,7-15H2,(H,22,26)/p+1