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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-N-piperonyl-1H-pyridine-3-carboxamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-14-4-2-3-9-24(14)12-16-6-7-17(21(26)23-16)20(25)22-11-15-5-8-18-19(10-15)28-13-27-18/h5-8,10,14H,2-4,9,11-13H2,1H3,(H,22,25)(H,23,26)/p+1/t14-/m0/s1