N-tert-butyl-2-[4-[(3R)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3R)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(3R)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[(3R)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(3R)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C23H34N4O3/c1-16-7-6-8-19(17(16)2)27-14-18(13-21(27)29)22(30)26-11-9-25(10-12-26)15-20(28)24-23(3,4)5/h6-8,18H,9-15H2,1-5H3,(H,24,28)/p+1/t18-/m1/s1