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

Systemtic Name: N-[2-[1-(3-methylbutyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-isopentylpiperidin-1-ium-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(3-methylbutyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(3-methylbutyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-isoamylpiperidin-1-ium-4-yl)pyrazol-3-yl]-piperonylamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-15(2)6-10-24-11-7-17(8-12-24)25-20(5-9-22-25)23-21(26)16-3-4-18-19(13-16)28-14-27-18/h3-5,9,13,15,17H,6-8,10-12,14H2,1-2H3,(H,23,26)/p+1