2-[[(2R)-1-oxidanylbutan-2-yl]amino]-5-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[[(2R)-1-oxidanylbutan-2-yl]amino]-5-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[[(1R)-1-(hydroxymethyl)propyl]amino]-5-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-5-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[(1R)-1-methylolpropyl]amino]-5-phenyl-pyridin-1-ium-3-carbonitrile Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=[NH+]C=C(C=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CO)NC1=[NH+]C=C(C=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H17N3O/c1-2-15(11-20)19-16-13(9-17)8-14(10-18-16)12-6-4-3-5-7-12/h3-8,10,15,20H,2,11H2,1H3,(H,18,19)/p+1/t15-/m1/s1