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

Systemtic Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-ethyl]ammonium CAS Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C15H23N3O2/c1-12(16)9-17-4-6-18(7-5-17)10-13-2-3-14-15(8-13)20-11-19-14/h2-3,8,12H,4-7,9-11,16H2,1H3/p+2/t12-/m0/s1