methyl 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-13-4-3-9-19(11-13)12-16(20)18-10-14-5-7-15(8-6-14)17(21)22-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)/p+1/t13-/m0/s1