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

Systemtic Name: propan-2-yl 4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C18H26N2O3/c1-13(2)23-18(22)15-7-9-16(10-8-15)19-17(21)12-20-11-5-4-6-14(20)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1