8-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-piperidyl]methyl]quinoline CAS Name: 8-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[(3S)-3-(4-piperonylpiperazin-4-ium-1-yl)piperidino]methyl]quinoline Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=C2N=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC3=C2N=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H32N4O2/c1-4-22-6-2-10-28-27(22)23(5-1)18-30-11-3-7-24(19-30)31-14-12-29(13-15-31)17-21-8-9-25-26(16-21)33-20-32-25/h1-2,4-6,8-10,16,24H,3,7,11-15,17-20H2/p+1/t24-/m0/s1