2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C20H27N5O2S/c1-3-8-21-18(26)13-24-9-11-25(12-10-24)15-20(27)23(2)14-19-22-16-6-4-5-7-17(16)28-19/h3-7H,1,8-15H2,2H3,(H,21,26)/p+1