2-pyridin-1-ium-1-ylethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-pyridin-1-ium-1-ylethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-pyridin-1-ium-1-ylethyl ester Formula: C15H16ClN2O3+ MolecularWeight: 307.75214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC[N+]2=CC=CC=C2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC[N+]2=CC=CC=C2)Cl)N

InChI

InChI=1S/C15H15ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h2-6,9-10H,7-8H2,1H3,(H-,17,19)/p+1