N-(2,6-diethylphenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2,6-diethylphenyl)acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2,6-diethylphenyl)acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-3-20-11-8-12-21(4-2)23(20)24-22(27)18-26-15-13-25(14-16-26)17-19-9-6-5-7-10-19/h5-12H,3-4,13-18H2,1-2H3,(H,24,27)/p+1