ethyl 4-methyl-2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H29N3O2S+2 MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-28-23(27)22-17(2)19-8-4-5-9-20(19)24-21(22)16-26-12-10-25(11-13-26)15-18-7-6-14-29-18/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2