2-bromanyl-4-chloranyl-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenolate

Systemtic Name: 2-bromanyl-4-chloranyl-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenolate Openeye Name: 2-bromo-4-chloro-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenolate CAS Name: 2-bromo-4-chloro-6-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-oxomethyl]phenolate IUPAC Name: 2-bromo-4-chloro-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenolate Traditional Name: 2-bromo-4-chloro-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenolate Formula: C19H21BrClN3O2 MolecularWeight: 438.74594

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3[O-])Br)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3[O-])Br)Cl

InChI

InChI=1S/C19H21BrClN3O2/c1-2-23-7-9-24(10-8-23)15-5-3-14(4-6-15)22-19(26)16-11-13(21)12-17(20)18(16)25/h3-6,11-12,25H,2,7-10H2,1H3,(H,22,26)