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

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 7,8-dichloro-4-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 7,8-dichloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H23Cl2N3O2+2 MolecularWeight: 384.30012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O2/c1-3-22-7-9-23(10-8-22)17-12-5-6-14(19)15(20)16(12)21-11-13(17)18(24)25-4-2/h5-6,11H,3-4,7-10H2,1-2H3/p+2