ethyl 4-methyl-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazin-4-iumyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-4-ium-1-yl]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CC[NH+](CC3)CC4=CC(=NO4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CC[NH+](CC3)CC4=CC(=NO4)C)C

InChI

InChI=1S/C23H28N4O3/c1-4-29-23(28)22-17(3)19-7-5-6-8-20(19)24-21(22)15-27-11-9-26(10-12-27)14-18-13-16(2)25-30-18/h5-8,13H,4,9-12,14-15H2,1-3H3/p+1