8-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]quinoline CAS Name: 8-[[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]methyl]quinoline Formula: C25H30ClN4+ MolecularWeight: 421.9855

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=C2N=CC=C3)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC3=C2N=CC=C3)[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H29ClN4/c26-22-8-2-9-23(17-22)29-13-15-30(16-14-29)24-10-4-12-28(19-24)18-21-6-1-5-20-7-3-11-27-25(20)21/h1-3,5-9,11,17,24H,4,10,12-16,18-19H2/p+1/t24-/m0/s1