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

Systemtic Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=C3C(=O)OCC)C

InChI

InChI=1S/C26H31N3O3/c1-4-31-24-13-9-8-12-23(24)29-16-14-28(15-17-29)18-22-25(26(30)32-5-2)19(3)20-10-6-7-11-21(20)27-22/h6-13H,4-5,14-18H2,1-3H3/p+1