ethyl (3S)-1-[[4-(diethylamino)phenyl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[4-(diethylamino)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-(diethylamino)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-(diethylamino)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-(diethylamino)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(diethylamino)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C19H30N2O2/c1-4-21(5-2)18-11-9-16(10-12-18)14-20-13-7-8-17(15-20)19(22)23-6-3/h9-12,17H,4-8,13-15H2,1-3H3/p+1/t17-/m0/s1