ethyl 7-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-8-methyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26ClN3O2+2 MolecularWeight: 363.88164

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=CC(=C(C3=[NH+]C=C2C(=O)OCC)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=CC(=C(C3=[NH+]C=C2C(=O)OCC)C)Cl

InChI

InChI=1S/C19H24ClN3O2/c1-4-22-8-10-23(11-9-22)18-14-6-7-16(20)13(3)17(14)21-12-15(18)19(24)25-5-2/h6-7,12H,4-5,8-11H2,1-3H3/p+2