3-chloranyl-4-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 4-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxy-3-chlorobenzonitrile Traditional Name: 4-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]-3-chloro-benzonitrile Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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