2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 2-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H31N4+ MolecularWeight: 387.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

InChI

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