[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl-methyl-[(1R)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methyl-[(1R)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-methyl-[(1R)-1-(4-pyrimidyl)ethyl]ammonium Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+](C)C(C)C4=NC=NC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+](C)[C@H](C)C4=NC=NC=C4

InChI

InChI=1S/C20H22N4O4/c1-12(15-5-6-21-10-22-15)24(3)9-16-13(2)28-20(23-16)14-7-17(25-4)19-18(8-14)26-11-27-19/h5-8,10,12H,9,11H2,1-4H3/p+1/t12-/m1/s1