ethyl 1-azanyl-3-chloranyl-1-(furan-3-ylcarbonyl)indol-1-ium-6-carboxylate

Systemtic Name: ethyl 1-azanyl-3-chloranyl-1-(furan-3-ylcarbonyl)indol-1-ium-6-carboxylate Openeye Name: ethyl 1-amino-3-chloro-1-(furan-3-carbonyl)indol-1-ium-6-carboxylate CAS Name: 1-amino-3-chloro-1-[3-furanyl(oxo)methyl]-6-indol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-3-chloro-1-(furan-3-carbonyl)indol-1-ium-6-carboxylate Traditional Name: 1-amino-3-chloro-1-(3-furoyl)indol-1-ium-6-carboxylic acid ethyl ester Formula: C16H14ClN2O4+ MolecularWeight: 333.74636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C[N+]2(C(=O)C3=COC=C3)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=C[N+]2(C(=O)C3=COC=C3)N)Cl

InChI

InChI=1S/C16H14ClN2O4/c1-2-23-16(21)10-3-4-12-13(17)8-19(18,14(12)7-10)15(20)11-5-6-22-9-11/h3-9H,2,18H2,1H3/q+1