[4-[3-(3-methylpyridin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]azanium

Systemtic Name: [4-[3-(3-methylpyridin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]azanium Openeye Name: [4-[2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)propoxy]phenyl]ammonium CAS Name: [4-[2-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)propoxy]phenyl]ammonium IUPAC Name: [4-[2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)propoxy]phenyl]azanium Traditional Name: [4-[2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)propoxy]phenyl]ammonium Formula: C15H20N2O2+2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(COC2=CC=C(C=C2)[NH3+])O

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(COC2=CC=C(C=C2)[NH3+])O

InChI

InChI=1S/C15H19N2O2/c1-12-3-2-8-17(9-12)10-14(18)11-19-15-6-4-13(16)5-7-15/h2-9,14,18H,10-11,16H2,1H3/q+1/p+1