2-[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(7-methoxy-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3/c1-16-19(13-17-5-6-18(29-2)14-20(17)23-16)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