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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S/c25-20(22-15-5-6-17-18(11-15)27-13-26-17)12-24-9-7-14(8-10-24)21-23-16-3-1-2-4-19(16)28-21/h1-6,11,14H,7-10,12-13H2,(H,22,25)/p+1