methyl 2-[[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-3-morpholin-4-ium-4-ylpiperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-3-(4-morpholin-4-iumyl)-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-morpholin-4-ium-4-ylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-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=CC=C1NC(=O)N2CCCC(C2)[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O4/c1-24-17(22)15-6-2-3-7-16(15)19-18(23)21-8-4-5-14(13-21)20-9-11-25-12-10-20/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,19,23)/p+1/t14-/m0/s1