[(4S)-4-[[(1,3-benzodioxol-5-ylcarbonylamino)-propan-2-yloxy-methylidene]amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[[(1,3-benzodioxol-5-ylcarbonylamino)-propan-2-yloxy-methylidene]amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[(1,3-benzodioxole-5-carbonylamino)-isopropoxy-methylene]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-propan-2-yloxymethylidene]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(1,3-benzodioxole-5-carbonylamino)-propan-2-yloxymethylidene]amino]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-[[isopropoxy-(piperonyloylamino)methylene]amino]pentyl]ammonium Formula: C21H34N3O4+ MolecularWeight: 392.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N=C(NC(=O)C1=CC2=C(C=C1)OCO2)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-6-24(7-2)12-8-9-16(5)22-21(28-15(3)4)23-20(25)17-10-11-18-19(13-17)27-14-26-18/h10-11,13,15-16H,6-9,12,14H2,1-5H3,(H,22,23,25)/p+1/t16-/m0/s1