2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-quinolylmethyl)acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-quinolinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-neopentyl-piperazin-1-ium-2-yl]-N-methyl-N-(2-quinolylmethyl)acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H30N4O2/c1-22(2,3)15-26-12-11-23-21(28)19(26)13-20(27)25(4)14-17-10-9-16-7-5-6-8-18(16)24-17/h5-10,19H,11-15H2,1-4H3,(H,23,28)/p+1/t19-/m1/s1