ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-25-15-13-23-20(25)17-24-14-8-11-22(18-24,21(26)27-4-2)12-16-28-19-9-6-5-7-10-19/h5-7,9-10,13,15H,3-4,8,11-12,14,16-18H2,1-2H3/p+1/t22-/m0/s1