(2S)-N-(4-ethoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-ethoxyphenyl)propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-ethoxyphenyl)propanamide Traditional Name: (2S)-2-(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)C(C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-3-27-21-11-9-20(10-12-21)23-22(26)18(2)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/p+2/t18-/m0/s1