3-piperidin-1-ium-1-ylpropyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 3-piperidin-1-ium-1-ylpropyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 3-(1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 3-piperidin-1-ium-1-ylpropyl ester Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCC[NH+]2CCCCC2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCC[NH+]2CCCCC2)Cl)N

InChI

InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3/p+1