methyl 4-[[(3R)-3-morpholin-4-ium-4-ylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3R)-3-morpholin-4-ium-4-ylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3R)-3-morpholin-4-ium-4-ylpiperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-3-(4-morpholin-4-iumyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-3-morpholin-4-ium-4-ylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-3-morpholin-4-ium-4-ylpiperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCCC(C2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCC[C@H](C2)[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O4/c1-24-17(22)14-4-6-15(7-5-14)19-18(23)21-8-2-3-16(13-21)20-9-11-25-12-10-20/h4-7,16H,2-3,8-13H2,1H3,(H,19,23)/p+1/t16-/m1/s1