2-[4-(2,6-dimethylquinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2,6-dimethylquinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2,6-dimethyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O2/c1-16-5-6-20-18(13-16)14-19(17(2)23-20)22(28)26-11-9-24(10-12-26)15-21(27)25-7-3-4-8-25/h5-6,13-14H,3-4,7-12,15H2,1-2H3/p+1