8-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H26N4/c1-2-6-19(7-3-1)16-23-17-27-28-25(23)21-11-14-29(15-12-21)18-22-9-4-8-20-10-5-13-26-24(20)22/h1-10,13,17,21H,11-12,14-16,18H2,(H,27,28)/p+1