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

Systemtic Name: [(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C15H25N3O3+2 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(C[NH3+])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@H](C[NH3+])O

InChI

InChI=1S/C15H23N3O3/c16-8-13(19)10-18-5-3-17(4-6-18)9-12-1-2-14-15(7-12)21-11-20-14/h1-2,7,13,19H,3-6,8-11,16H2/p+2/t13-/m0/s1