2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN2O3/c23-19-12-17(13-20-22(19)28-11-10-27-20)14-21(26)24-18-6-8-25(9-7-18)15-16-4-2-1-3-5-16/h1-5,12-13,18H,6-11,14-15H2,(H,24,26)/p+1