N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-piperonyl-acetamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N3O3S/c1-2-27(14-17-7-8-20-21(13-17)30-16-29-20)23(28)15-26-11-9-18(10-12-26)24-25-19-5-3-4-6-22(19)31-24/h3-8,13,18H,2,9-12,14-16H2,1H3/p+1