(4-methoxycarbonylphenyl)methyl-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[[3-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[3-[(2R)-2-hydroxy-3-morpholino-propoxy]benzyl]ammonium Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OCC(CN3CCOCC3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)OC[C@@H](CN3CCOCC3)O

InChI

InChI=1S/C23H30N2O5/c1-28-23(27)20-7-5-18(6-8-20)14-24-15-19-3-2-4-22(13-19)30-17-21(26)16-25-9-11-29-12-10-25/h2-8,13,21,24,26H,9-12,14-17H2,1H3/p+1/t21-/m1/s1