ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C18H26N2O3/c1-4-23-18(22)15-5-7-16(8-6-15)19-17(21)12-20-10-13(2)9-14(3)11-20/h5-8,13-14H,4,9-12H2,1-3H3,(H,19,21)/p+1/t13-,14-/m1/s1