N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2R)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1R)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl)NC(=O)C

InChI

InChI=1S/C18H26ClN3O2/c1-13(2)17(20-14(3)23)18(24)22-9-7-21(8-10-22)12-15-5-4-6-16(19)11-15/h4-6,11,13,17H,7-10,12H2,1-3H3,(H,20,23)/p+1/t17-/m1/s1