1-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-piperonyl-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3/c24-20(22-12-17-3-1-2-8-21-17)16-6-9-23(10-7-16)13-15-4-5-18-19(11-15)26-14-25-18/h1-5,8,11,16H,6-7,9-10,12-14H2,(H,22,24)/p+1