[(4R)-4-[[(1,3-benzodioxol-5-ylcarbonylamino)-propoxy-methylidene]amino]pentyl]-diethyl-azanium

Systemtic Name: [(4R)-4-[[(1,3-benzodioxol-5-ylcarbonylamino)-propoxy-methylidene]amino]pentyl]-diethyl-azanium Openeye Name: [(4R)-4-[[(1,3-benzodioxole-5-carbonylamino)-propoxy-methylene]amino]pentyl]-diethyl-ammonium CAS Name: [(4R)-4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-propoxymethylidene]amino]pentyl]-diethylammonium IUPAC Name: [(4R)-4-[[(1,3-benzodioxole-5-carbonylamino)-propoxymethylidene]amino]pentyl]-diethylazanium Traditional Name: diethyl-[(4R)-4-[[(piperonyloylamino)-propoxy-methylene]amino]pentyl]ammonium Formula: C21H34N3O4+ MolecularWeight: 392.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=NC(C)CCC[NH+](CC)CC)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCOC(=N[C@H](C)CCC[NH+](CC)CC)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C21H33N3O4/c1-5-13-26-21(22-16(4)9-8-12-24(6-2)7-3)23-20(25)17-10-11-18-19(14-17)28-15-27-18/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H,22,23,25)/p+1/t16-/m1/s1