N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C26H30N4O3/c31-25(11-4-8-20-6-2-1-3-7-20)28-24-12-15-27-30(24)22-13-16-29(17-14-22)18-21-9-5-10-23-26(21)33-19-32-23/h1-3,5-7,9-10,12,15,22H,4,8,11,13-14,16-19H2,(H,28,31)/p+1