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

Systemtic Name: 4-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 4-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 4-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 4-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 4-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C24H24ClN4+ MolecularWeight: 403.92716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC3=CC=CC=C23)C4=C(C=NN4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC3=CC=CC=C23)C4=C(C=NN4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H23ClN4/c25-20-9-7-17(8-10-20)22-14-27-28-24(22)19-4-3-13-29(16-19)15-18-11-12-26-23-6-2-1-5-21(18)23/h1-2,5-12,14,19H,3-4,13,15-16H2,(H,27,28)/p+1/t19-/m0/s1