3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride CAS Name: 4-(butylamino)benzoic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 4-(butylamino)benzoate chloride Traditional Name: 4-(butylamino)benzoic acid 3-piperidin-1-ium-1-ylpropyl ester chloride Formula: C19H31ClN2O2 MolecularWeight: 354.91464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C19H30N2O2.ClH/c1-2-3-12-20-18-10-8-17(9-11-18)19(22)23-16-7-15-21-13-5-4-6-14-21;/h8-11,20H,2-7,12-16H2,1H3;1H