[5-chloranyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-yl] thiophene-2-carboxylate

Systemtic Name: [5-chloranyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-yl] thiophene-2-carboxylate Openeye Name: [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-chloro-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-8-quinolin-1-iumyl] ester IUPAC Name: [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-chloro-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]quinolin-1-ium-8-yl] ester Formula: C20H23ClN3O2S+3 MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C3C=CC=[NH+]C3=C2OC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C3C=CC=[NH+]C3=C2OC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-23-7-9-24(10-8-23)13-14-12-16(21)15-4-2-6-22-18(15)19(14)26-20(25)17-5-3-11-27-17/h2-6,11-12H,7-10,13H2,1H3/p+3