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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c26-21(23-12-15-5-6-18-19(11-15)28-14-27-18)13-25-9-7-16(8-10-25)22-24-17-3-1-2-4-20(17)29-22/h1-6,11,16H,7-10,12-14H2,(H,23,26)/p+1