2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2/p+1