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

Systemtic Name: N-[2-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(6-methyl-2-pyridinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3/c1-16-3-2-4-18(25-16)14-27-11-8-19(9-12-27)28-22(7-10-24-28)26-23(29)17-5-6-20-21(13-17)31-15-30-20/h2-7,10,13,19H,8-9,11-12,14-15H2,1H3,(H,26,29)/p+1