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

Systemtic Name: [(4S)-4-[[(1,3-benzodioxol-5-ylcarbonylamino)-methoxy-methylidene]amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[[(1,3-benzodioxole-5-carbonylamino)-methoxy-methylene]amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-methoxymethylidene]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[[(1,3-benzodioxole-5-carbonylamino)-methoxymethylidene]amino]pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-[[methoxy-(piperonyloylamino)methylene]amino]pentyl]ammonium Formula: C19H30N3O4+ MolecularWeight: 364.4592

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-5-22(6-2)11-7-8-14(3)20-19(24-4)21-18(23)15-9-10-16-17(12-15)26-13-25-16/h9-10,12,14H,5-8,11,13H2,1-4H3,(H,20,21,23)/p+1/t14-/m0/s1