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

Systemtic Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3S/c1-15-2-4-18(30-15)13-25-10-7-17(8-11-25)26-21(6-9-23-26)24-22(27)16-3-5-19-20(12-16)29-14-28-19/h2-6,9,12,17H,7-8,10-11,13-14H2,1H3,(H,24,27)/p+1