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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[[3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C24H34N2O6+2 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)OC)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)OC)OC[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C24H32N2O6/c1-29-23-13-19(15-25-14-18-3-6-20(7-4-18)24(28)30-2)5-8-22(23)32-17-21(27)16-26-9-11-31-12-10-26/h3-8,13,21,25,27H,9-12,14-17H2,1-2H3/p+2/t21-/m1/s1