methyl-[[4-[4-oxidanylidene-6-(phenoxymethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(3-oxidanylpropyl)azanium

Systemtic Name: methyl-[[4-[4-oxidanylidene-6-(phenoxymethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-methyl-[[4-[4-oxo-6-(phenoxymethyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium CAS Name: 3-hydroxypropyl-methyl-[[4-[4-oxo-6-(phenoxymethyl)-1H-pyrimidin-2-yl]phenyl]methyl]ammonium IUPAC Name: 3-hydroxypropyl-methyl-[[4-[4-oxo-6-(phenoxymethyl)-1H-pyrimidin-2-yl]phenyl]methyl]azanium Traditional Name: 3-hydroxypropyl-[4-[4-keto-6-(phenoxymethyl)-1H-pyrimidin-2-yl]benzyl]-methyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCO)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)COC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCO)CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-25(12-5-13-26)15-17-8-10-18(11-9-17)22-23-19(14-21(27)24-22)16-28-20-6-3-2-4-7-20/h2-4,6-11,14,26H,5,12-13,15-16H2,1H3,(H,23,24,27)/p+1