methyl 4-[[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-morpholino-3-oxo-propyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-keto-3-morpholino-propyl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3

InChI

InChI=1S/C21H30N2O4/c1-26-21(25)19-5-2-18(3-6-19)16-22-10-8-17(9-11-22)4-7-20(24)23-12-14-27-15-13-23/h2-3,5-6,17H,4,7-16H2,1H3/p+1