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

Systemtic Name: 6-(4-methoxyphenyl)-2-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[[(1R)-1-(hydroxymethyl)propyl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-6-(4-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-[[(1R)-1-methylolpropyl]amino]pyridin-1-ium-3-carbonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC[C@H](CO)NC1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C17H19N3O2/c1-3-14(11-21)19-17-13(10-18)6-9-16(20-17)12-4-7-15(22-2)8-5-12/h4-9,14,21H,3,11H2,1-2H3,(H,19,20)/p+1/t14-/m1/s1