1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopentane-1-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]cyclopentane-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-cyclopentanecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxamide Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H32N2O3/c29-25(27-22-10-14-28(15-11-22)19-20-6-2-1-3-7-20)26(12-4-5-13-26)21-8-9-23-24(18-21)31-17-16-30-23/h1-3,6-9,18,22H,4-5,10-17,19H2,(H,27,29)/p+1