ethyl 4-(4-ethylpiperazin-4-ium-1-yl)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=CC4=CC=CC=C4C3=[NH+]C=C2C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=CC4=CC=CC=C4C3=[NH+]C=C2C(=O)OCC

InChI

InChI=1S/C22H25N3O2/c1-3-24-11-13-25(14-12-24)21-18-10-9-16-7-5-6-8-17(16)20(18)23-15-19(21)22(26)27-4-2/h5-10,15H,3-4,11-14H2,1-2H3/p+2