[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)[NH+](C)CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H23N5O2/c1-14(17-6-7-21-13-22-17)24(2)11-16-12-25(3)23-20(16)15-4-5-18-19(10-15)27-9-8-26-18/h4-7,10,12-14H,8-9,11H2,1-3H3/p+1/t14-/m0/s1