2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC3=C(C=C2)OCCO3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O2/c1-14(23-12-16-3-4-19-20(11-16)27-10-9-26-19)18-13-24-21(25-15(18)2)17-5-7-22-8-6-17/h3-8,11,13-14,23H,9-10,12H2,1-2H3/p+1/t14-/m0/s1