N-butyl-2-[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-(4-p-anisoylpiperazin-1-ium-1-yl)acetamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-3-4-9-19-17(22)14-20-10-12-21(13-11-20)18(23)15-5-7-16(24-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3,(H,19,22)/p+1