2-[4-[(3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(3S)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(3S)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(3S)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-2-20-8-10-23(11-9-20)30-18-22(16-25(30)32)26(33)29-14-12-28(13-15-29)19-24(31)27-17-21-6-4-3-5-7-21/h3-11,22H,2,12-19H2,1H3,(H,27,31)/p+1/t22-/m0/s1