N-[2-[1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(2-hydroxy-6-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(2-hydroxy-6-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H26N4O5/c1-31-20-4-2-3-19(29)18(20)14-27-11-8-17(9-12-27)28-23(7-10-25-28)26-24(30)16-5-6-21-22(13-16)33-15-32-21/h2-7,10,13,17,29H,8-9,11-12,14-15H2,1H3,(H,26,30)/p+1