1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]pentane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]pentane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]pentane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]pentane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]pentane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]pentane-1,4-dione Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)CCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O2S/c1-13(21)6-7-17(22)20-10-8-19(9-11-20)12-16-18-14-4-2-3-5-15(14)23-16/h2-5H,6-12H2,1H3/p+1