N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H28N4O2S/c1-26(16-23-25-20-4-2-3-5-22(20)31-23)24(29)17-28-11-9-27(10-12-28)15-18-6-7-21-19(14-18)8-13-30-21/h2-7,14H,8-13,15-17H2,1H3/p+1