2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4O3S/c1-2-29(16-19-7-8-21-22(15-19)32-14-13-31-21)25(30)18-28-11-9-27(10-12-28)17-24-26-20-5-3-4-6-23(20)33-24/h3-8,15H,2,9-14,16-18H2,1H3/p+1