(6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (6-methoxy-1,3-benzodioxol-5-yl)methyl-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC3=C(C=C2OC)OCO3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@@H](C)[NH2+]CC2=CC3=C(C=C2OC)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O3/c1-13(17-11-24-21(25-14(17)2)15-4-6-22-7-5-15)23-10-16-8-19-20(28-12-27-19)9-18(16)26-3/h4-9,11,13,23H,10,12H2,1-3H3/p+1/t13-/m1/s1