N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H26N4O3/c29-24(19-4-2-1-3-5-19)26-23-8-11-25-28(23)20-9-12-27(13-10-20)17-18-6-7-21-22(16-18)31-15-14-30-21/h1-8,11,16,20H,9-10,12-15,17H2,(H,26,29)/p+1