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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]ammonium CAS Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]ammonium IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]azanium Traditional Name: [4-keto-4-(4-piperonylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C16H25N3O3+2 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c17-5-1-2-16(20)19-8-6-18(7-9-19)11-13-3-4-14-15(10-13)22-12-21-14/h3-4,10H,1-2,5-9,11-12,17H2/p+2