N-(4-ethoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-ethoxyphenyl)propanamide CAS Name: N-(4-ethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-p-phenetyl-propionamide Formula: C22H31N3O2+2 MolecularWeight: 369.50044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-2-27-21-10-8-20(9-11-21)23-22(26)12-13-24-14-16-25(17-15-24)18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3,(H,23,26)/p+2