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

Systemtic Name: ethyl (3R)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-phenethyl-piperidine-3-carboxylate CAS Name: (3R)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-phenethylpiperidine-3-carboxylate Traditional Name: (3R)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-phenethyl-nipecotic acid ethyl ester Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=[N+](C=CN2)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=[N+](C=CN2)C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-3-26-20(25)21(12-10-18-8-5-4-6-9-18)11-7-14-24(17-21)16-19-22-13-15-23(19)2/h4-6,8-9,13,15H,3,7,10-12,14,16-17H2,1-2H3/p+1/t21-/m0/s1