2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)ethanamide

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)ethanamide Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)acetamide CAS Name: 2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)acetamide IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)acetamide Traditional Name: 2-(4-isovalerylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(2)16-23(28)26-14-12-25(13-15-26)17-22(27)24-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)/p+1