ethyl 1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methoxy-4-propylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methoxy-4-propylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-methoxy-4-propyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC[NH+]2CCC(CC2)C(=O)OCC)OC

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC[NH+]2CCC(CC2)C(=O)OCC)OC

InChI

InChI=1S/C20H31NO4/c1-4-6-16-7-8-18(19(15-16)23-3)25-14-13-21-11-9-17(10-12-21)20(22)24-5-2/h7-8,15,17H,4-6,9-14H2,1-3H3/p+1