3-oxidanylpropyl-[phenyl(pyridin-1-ium-4-yl)methyl]azanium

Systemtic Name: 3-oxidanylpropyl-[phenyl(pyridin-1-ium-4-yl)methyl]azanium Openeye Name: 3-hydroxypropyl-[phenyl(pyridin-1-ium-4-yl)methyl]ammonium CAS Name: 3-hydroxypropyl-[phenyl(4-pyridin-1-iumyl)methyl]ammonium IUPAC Name: 3-hydroxypropyl-[phenyl(pyridin-1-ium-4-yl)methyl]azanium Traditional Name: 3-hydroxypropyl-[phenyl(pyridin-1-ium-4-yl)methyl]ammonium Formula: C15H20N2O+2 MolecularWeight: 244.3321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=[NH+]C=C2)[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=[NH+]C=C2)[NH2+]CCCO

InChI

InChI=1S/C15H18N2O/c18-12-4-9-17-15(13-5-2-1-3-6-13)14-7-10-16-11-8-14/h1-3,5-8,10-11,15,17-18H,4,9,12H2/p+2