2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxybenzonitrile IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O2/c1-17(26-20-10-6-5-9-19(20)15-22)21(25)24-13-11-23(12-14-24)16-18-7-3-2-4-8-18/h2-10,17H,11-14,16H2,1H3/p+1/t17-/m1/s1