2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N4O2+2 MolecularWeight: 396.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2/c28-22-9-5-4-8-21(22)27-14-12-25(13-15-27)18-23(29)24-20-10-11-26(17-20)16-19-6-2-1-3-7-19/h1-9,20,28H,10-18H2,(H,24,29)/p+2/t20-/m1/s1