[(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 5-bromanylfuran-2-carboxylate

Systemtic Name: [(E)-[azanyl-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 5-bromanylfuran-2-carboxylate Openeye Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [(E)-[amino-[4-(1-piperidin-1-iumylmethyl)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylidene]amino] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [(E)-[amino-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylene]amino] ester Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=NOC(=O)C3=CC=C(O3)Br)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)/C(=N\OC(=O)C3=CC=C(O3)Br)/N

InChI

InChI=1S/C18H20BrN3O3/c19-16-9-8-15(24-16)18(23)25-21-17(20)14-6-4-13(5-7-14)12-22-10-2-1-3-11-22/h4-9H,1-3,10-12H2,(H2,20,21)/p+1