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

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-cyclopropyl-ethanone Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-cyclopropyl-ethanone CAS Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-cyclopropylethanone IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-cyclopropylethanone Traditional Name: 2-cyclopropyl-1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2CC2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2CC2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H31N3O3/c26-22(13-17-3-4-17)25-7-1-2-19(15-25)24-10-8-23(9-11-24)14-18-5-6-20-21(12-18)28-16-27-20/h5-6,12,17,19H,1-4,7-11,13-16H2/p+1/t19-/m0/s1