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

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]butan-1-one Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c1-17(2)12-22(26)25-7-3-4-19(15-25)24-10-8-23(9-11-24)14-18-5-6-20-21(13-18)28-16-27-20/h5-6,13,17,19H,3-4,7-12,14-16H2,1-2H3/p+1/t19-/m0/s1