N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c1-2-31-21-5-3-4-18(14-21)16-28-12-9-20(10-13-28)29-24(8-11-26-29)27-25(30)19-6-7-22-23(15-19)33-17-32-22/h3-8,11,14-15,20H,2,9-10,12-13,16-17H2,1H3,(H,27,30)/p+1