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

Systemtic Name: N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-1-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H30ClN3O2/c1-18(2)23(26-22(29)16-19-7-4-3-5-8-19)24(30)28-13-11-27(12-14-28)17-20-9-6-10-21(25)15-20/h3-10,15,18,23H,11-14,16-17H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1