6-[(5-bromanylquinolin-1-ium-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[(5-bromanylquinolin-1-ium-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 6-[(5-bromoquinolin-1-ium-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[(5-bromo-8-quinolin-1-iumyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[(5-bromoquinolin-1-ium-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[(5-bromoquinolin-1-ium-8-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C3C(=C(C=C2)Br)C=CC=[NH+]3)C(=O)[O-]

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C3C(=C(C=C2)Br)C=CC=[NH+]3)C(=O)[O-]

InChI

InChI=1S/C17H15BrN2O3/c18-13-7-8-14(15-12(13)6-3-9-19-15)20-16(21)10-4-1-2-5-11(10)17(22)23/h1-3,6-11H,4-5H2,(H,20,21)(H,22,23)