N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-phenethyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-phenethylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-(4-phenethylpiperazin-4-ium-1-yl)propionamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CC[NH+](CC1)CCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CC[NH+](CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C21H33N3O2/c1-18(25)17-21(2,3)22-20(26)10-12-24-15-13-23(14-16-24)11-9-19-7-5-4-6-8-19/h4-8H,9-17H2,1-3H3,(H,22,26)/p+1