N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-N-piperonyl-1H-pyridine-3-carboxamide Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CC3=CC=C(C(=O)N3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CC3=CC=C(C(=O)N3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4/c30-25(27-15-18-6-9-23-24(14-18)33-17-32-23)22-8-7-21(28-26(22)31)16-29-12-10-20(11-13-29)19-4-2-1-3-5-19/h1-9,14,20H,10-13,15-17H2,(H,27,30)(H,28,31)/p+1