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

Systemtic Name: 8-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]quinoline CAS Name: 8-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]quinoline Formula: C25H31N4+ MolecularWeight: 387.54044

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4/c1-2-10-23(11-3-1)28-15-17-29(18-16-28)24-12-6-14-27(20-24)19-22-8-4-7-21-9-5-13-26-25(21)22/h1-5,7-11,13,24H,6,12,14-20H2/p+1/t24-/m0/s1