N,N-diethyl-3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C23H30N4O3/c1-3-26(4-2)23(30)18-6-5-7-19(16-18)24-22(29)17-25-12-14-27(15-13-25)20-8-10-21(28)11-9-20/h5-11,16,28H,3-4,12-15,17H2,1-2H3,(H,24,29)/p+1