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

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C14H21N3O3+2 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c15-8-14(18)17-5-3-16(4-6-17)9-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10,15H2/p+2