1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 2-piperidin-1-ium-1-yl-1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H36N4O3/c29-24(18-25-8-2-1-3-9-25)28-10-4-5-21(17-28)27-13-11-26(12-14-27)16-20-6-7-22-23(15-20)31-19-30-22/h6-7,15,21H,1-5,8-14,16-19H2/p+2/t21-/m0/s1