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

Systemtic Name: 4-[[4-[(2R)-2-(4-cyanophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2R)-2-(4-cyanophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2R)-2-(4-cyanophenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2R)-2-(4-cyanophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2R)-2-(4-cyanophenoxy)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H23N4O2+ MolecularWeight: 375.44362

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/c1-17(28-21-8-6-19(15-24)7-9-21)22(27)26-12-10-25(11-13-26)16-20-4-2-18(14-23)3-5-20/h2-9,17H,10-13,16H2,1H3/p+1/t17-/m1/s1