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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H26N2O3/c1-13-8-14(2)11-20(10-13)12-17(21)19-9-15-4-6-16(7-5-15)18(22)23-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)/p+1/t13-,14+