N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-isopropylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-isopropylpiperidin-1-ium-4-yl)pyrazol-3-yl]-piperonylamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O3/c1-13(2)22-9-6-15(7-10-22)23-18(5-8-20-23)21-19(24)14-3-4-16-17(11-14)26-12-25-16/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,21,24)/p+1