(4S)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1-(2-methylphenyl)pyrrolidin-2-one

Systemtic Name: (4S)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1-(2-methylphenyl)pyrrolidin-2-one Openeye Name: (4S)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(o-tolyl)pyrrolidin-2-one CAS Name: (4S)-4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-(2-methylphenyl)-2-pyrrolidinone IUPAC Name: (4S)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-ethylpiperazin-4-ium-1-carbonyl)-1-(o-tolyl)-2-pyrrolidone Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3C

InChI

InChI=1S/C18H25N3O2/c1-3-19-8-10-20(11-9-19)18(23)15-12-17(22)21(13-15)16-7-5-4-6-14(16)2/h4-7,15H,3,8-13H2,1-2H3/p+1/t15-/m0/s1