8-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-(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:

C1CC(C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)C4=C(C=NN4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2N=CC=C3)C4=C(C=NN4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4/c1-2-7-19(8-3-1)15-23-16-27-28-25(23)22-12-6-14-29(18-22)17-21-10-4-9-20-11-5-13-26-24(20)21/h1-5,7-11,13,16,22H,6,12,14-15,17-18H2,(H,27,28)/p+1/t22-/m0/s1