N,N-diethyl-2-[4-(3-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-(3-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(2-hydroxy-3-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[(2-hydroxy-3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(2-hydroxy-3-methylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(2-hydroxy-3-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)C)O

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=CC=C2)C)O

InChI

InChI=1S/C18H27N3O3/c1-4-20(5-2)16(22)13-19-9-11-21(12-10-19)18(24)15-8-6-7-14(3)17(15)23/h6-8,23H,4-5,9-13H2,1-3H3/p+1