3-piperidin-1-ium-1-ylpropyl 4-azanyl-2-hexoxy-benzoate chloride

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 4-azanyl-2-hexoxy-benzoate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl 4-amino-2-hexoxy-benzoate chloride CAS Name: 4-amino-2-hexoxybenzoic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 4-amino-2-hexoxybenzoate chloride Traditional Name: 4-amino-2-hexoxy-benzoic acid 3-piperidin-1-ium-1-ylpropyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-4-8-15-25-20-17-18(22)10-11-19(20)21(24)26-16-9-14-23-12-6-5-7-13-23;/h10-11,17H,2-9,12-16,22H2,1H3;1H