6-(4-methoxyphenyl)-2-[[(2R)-2-oxidanylpropyl]amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[[(2R)-2-oxidanylpropyl]amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[[(2R)-2-hydroxypropyl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[(2R)-2-hydroxypropyl]amino]-6-(4-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[[(2R)-2-hydroxypropyl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[(2R)-2-hydroxypropyl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)OC)C#N)O

Isomeric SMILES

C[C@H](CNC1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)OC)C#N)O

InChI

InChI=1S/C16H17N3O2/c1-11(20)10-18-16-13(9-17)5-8-15(19-16)12-3-6-14(21-2)7-4-12/h3-8,11,20H,10H2,1-2H3,(H,18,19)/p+1/t11-/m1/s1