4-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-1-methyl-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 4-[(2R)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(4-pyridin-1-ium-4-ylpiperazino)ethoxy]benzonitrile Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O2/c1-15(25-18-4-2-16(14-20)3-5-18)19(24)23-12-10-22(11-13-23)17-6-8-21-9-7-17/h2-9,15H,10-13H2,1H3/p+1/t15-/m1/s1