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

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]ammonium CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]ammonium IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]azanium Traditional Name: [3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C15H23N3O3+2 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c16-4-3-15(19)18-7-5-17(6-8-18)10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11,16H2/p+2