(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(3-acetylphenyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-acetylphenyl)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-acetylphenyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H26ClN3O2/c1-15-7-8-19(23)14-21(15)26-11-9-25(10-12-26)16(2)22(28)24-20-6-4-5-18(13-20)17(3)27/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,28)/p+1/t16-/m1/s1