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

Systemtic Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N6O3/c1-25-12-15(11-23-25)13-26-8-5-17(6-9-26)27-20(4-7-22-27)24-21(28)16-2-3-18-19(10-16)30-14-29-18/h2-4,7,10-12,17H,5-6,8-9,13-14H2,1H3,(H,24,28)/p+1