N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: N-[2-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O4/c1-30-20-13-17(14-21-23(20)32-16-31-21)15-27-11-8-19(9-12-27)28-22(7-10-25-28)26-24(29)18-5-3-2-4-6-18/h2-7,10,13-14,19H,8-9,11-12,15-16H2,1H3,(H,26,29)/p+1