1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[2-keto-2-(propylamino)ethyl]amino]ethyl]-methyl-piperonyl-ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C[NH+](C)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCNC(=O)CNC(=O)C[NH+](C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H23N3O4/c1-3-6-17-15(20)8-18-16(21)10-19(2)9-12-4-5-13-14(7-12)23-11-22-13/h4-5,7H,3,6,8-11H2,1-2H3,(H,17,20)(H,18,21)/p+1