1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-piperonyl-ammonium Formula: C19H26N3O5+ MolecularWeight: 376.42684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C19H25N3O5/c1-4-13-17(18(23)25-5-2)14(21-19(24)20-13)10-22(3)9-12-6-7-15-16(8-12)27-11-26-15/h6-8,13H,4-5,9-11H2,1-3H3,(H2,20,21,24)/p+1/t13-/m0/s1