ethyl (3S)-1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[4-(2-methoxy-4-methylphenoxy)butyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(2-methoxy-4-methylphenoxy)butyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(2-methoxy-4-methyl-phenoxy)butyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2)C)OC

InChI

InChI=1S/C20H31NO4/c1-4-24-20(22)17-8-7-12-21(15-17)11-5-6-13-25-18-10-9-16(2)14-19(18)23-3/h9-10,14,17H,4-8,11-13,15H2,1-3H3/p+1/t17-/m0/s1