4-chloranyl-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]benzamide Openeye Name: 4-chloro-N-[4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-4-oxo-butyl]benzamide CAS Name: 4-chloro-N-[4-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-4-oxobutyl]benzamide IUPAC Name: 4-chloro-N-[4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-4-oxobutyl]benzamide Traditional Name: 4-chloro-N-[4-keto-4-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butyl]benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-25-14-15-26(20(16-25)17-6-3-2-4-7-17)21(27)8-5-13-24-22(28)18-9-11-19(23)12-10-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3,(H,24,28)/p+1/t20-/m0/s1