4-[[4-[(2R)-2-(4-chloranylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2R)-2-(4-chloranylphenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2R)-2-(4-chlorophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2R)-2-(4-chlorophenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2R)-2-(4-chlorophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2R)-2-(4-chlorophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-16(27-20-8-6-19(22)7-9-20)21(26)25-12-10-24(11-13-25)15-18-4-2-17(14-23)3-5-18/h2-9,16H,10-13,15H2,1H3/p+1/t16-/m1/s1