N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide Openeye Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propanamide CAS Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxypropanamide Traditional Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenoxy-propionamide Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCOC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H28N4O4/c30-24(12-16-31-21-6-2-1-3-7-21)27-23-9-13-26-29(23)20-10-14-28(15-11-20)17-19-5-4-8-22-25(19)33-18-32-22/h1-9,13,20H,10-12,14-18H2,(H,27,30)/p+1