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

Systemtic Name: ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=[N+](C=CN2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=[N+](C=CN2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3/c1-3-26-20(25)21(11-15-27-18-8-5-4-6-9-18)10-7-13-24(17-21)16-19-22-12-14-23(19)2/h4-6,8-9,12,14H,3,7,10-11,13,15-17H2,1-2H3/p+1/t21-/m0/s1