ethyl 4-methyl-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 2-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C24H32N4O3/c1-3-31-24(30)23-18(2)19-8-4-5-9-20(19)25-21(23)16-26-12-14-27(15-13-26)17-22(29)28-10-6-7-11-28/h4-5,8-9H,3,6-7,10-17H2,1-2H3/p+1