ethyl (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-methoxyethyl)nipecotic acid ethyl ester Formula: C17H30N3O3+ MolecularWeight: 324.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)(CCOC)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@](C2)(CCOC)C(=O)OCC

InChI

InChI=1S/C17H29N3O3/c1-4-20-11-9-18-15(20)13-19-10-6-7-17(14-19,8-12-22-3)16(21)23-5-2/h9,11H,4-8,10,12-14H2,1-3H3/p+1/t17-/m0/s1