5-carboxy-2-chloranyl-N-(2-diethylaminoethyl)-4-oxidanyl-benzonitrilium

Systemtic Name: 5-carboxy-2-chloranyl-N-(2-diethylaminoethyl)-4-oxidanyl-benzonitrilium Openeye Name: 5-carboxy-2-chloro-N-(2-diethylaminoethyl)-4-hydroxy-benzonitrilium CAS Name: 5-carboxy-2-chloro-N-(2-diethylaminoethyl)-4-hydroxybenzonitrilium IUPAC Name: 5-carboxy-2-chloro-N-(2-diethylaminoethyl)-4-hydroxybenzonitrilium Traditional Name: 5-carboxy-2-chloro-N-(2-diethylaminoethyl)-4-hydroxy-benzonitrilium Formula: C14H18ClN2O3+ MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]#CC1=CC(=C(C=C1Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC[N+]#CC1=CC(=C(C=C1Cl)O)C(=O)O

InChI

InChI=1S/C14H17ClN2O3/c1-3-17(4-2)6-5-16-9-10-7-11(14(19)20)13(18)8-12(10)15/h7-8H,3-6H2,1-2H3,(H,19,20)/p+1