4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine

Systemtic Name: 4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]pyridine Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)CC3=CN(N=C3C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)CC3=CN(N=C3C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C27H26N4O2/c1-2-4-24(5-3-1)31-18-23(27(29-31)22-6-7-25-26(16-22)33-19-32-25)17-30-14-10-21(11-15-30)20-8-12-28-13-9-20/h1-9,12-13,16,18,21H,10-11,14-15,17,19H2/p+1