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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C4=C(C=NN4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)C4=C(C=NN4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C26H25N3O2/c1-2-10-21-18(6-1)7-3-11-22(21)23-14-27-28-25(23)19-9-5-13-29(15-19)16-20-8-4-12-24-26(20)31-17-30-24/h1-4,6-8,10-12,14,19H,5,9,13,15-17H2,(H,27,28)/p+1/t19-/m1/s1