[(2S)-3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-piperonyloylpiperazino)propyl]ammonium Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C[NH3+])O)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1C[C@H](C[NH3+])O)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O4/c16-8-12(19)9-17-3-5-18(6-4-17)15(20)11-1-2-13-14(7-11)22-10-21-13/h1-2,7,12,19H,3-6,8-10,16H2/p+1/t12-/m0/s1