1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(N=C3N2C=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O4/c25-21(26)14-6-9-23(10-7-14)12-16-20(22-19-3-1-2-8-24(16)19)15-4-5-17-18(11-15)28-13-27-17/h1-5,8,11,14H,6-7,9-10,12-13H2,(H,25,26)