1-(1,3-benzodioxol-4-ylmethyl)-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-naphthalenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-(4-naphthalen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[4-(2-naphthyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)C3=CC4=CC=CC=C4C=C3)CC5=C6C(=CC=C5)OCO6

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC4=CC=CC=C4C=C3)CC5=C6C(=CC=C5)OCO6

InChI

InChI=1S/C26H25N3O2/c1-2-5-20-14-21(9-8-18(20)4-1)23-15-27-28-25(23)19-10-12-29(13-11-19)16-22-6-3-7-24-26(22)31-17-30-24/h1-9,14-15,19H,10-13,16-17H2,(H,27,28)/p+1