2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C25H34N4O2+2 MolecularWeight: 422.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2/c30-24(26-12-16-28-14-4-5-15-28)18-23-25(31)27-13-17-29(23)19-20-8-10-22(11-9-20)21-6-2-1-3-7-21/h1-3,6-11,23H,4-5,12-19H2,(H,26,30)(H,27,31)/p+2/t23-/m1/s1