N-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-N-(2-pyridylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-N-(2-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(2-piperidin-1-ium-1-ylethoxy)benzyl]-N-(2-pyridylmethyl)-piperonylamide Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)CN(CC3=CC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)CN(CC3=CC=CC=N3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O4/c32-28(23-9-12-26-27(18-23)35-21-34-26)31(20-24-6-2-3-13-29-24)19-22-7-10-25(11-8-22)33-17-16-30-14-4-1-5-15-30/h2-3,6-13,18H,1,4-5,14-17,19-21H2/p+1