2-imidazol-1-ylethyl-[[3-methoxy-4-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-imidazol-1-ylethyl-[[3-methoxy-4-[(2R)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-morpholino-propoxy]-3-methoxy-phenyl]methyl-(2-imidazol-1-ylethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholinyl)propoxy]-3-methoxyphenyl]methyl-[2-(1-imidazolyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-3-methoxyphenyl]methyl-(2-imidazol-1-ylethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-morpholino-propoxy]-3-methoxy-benzyl]-(2-imidazol-1-ylethyl)ammonium Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCN2C=CN=C2)OCC(CN3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCN2C=CN=C2)OC[C@@H](CN3CCOCC3)O

InChI

InChI=1S/C20H30N4O4/c1-26-20-12-17(13-21-4-6-24-7-5-22-16-24)2-3-19(20)28-15-18(25)14-23-8-10-27-11-9-23/h2-3,5,7,12,16,18,21,25H,4,6,8-11,13-15H2,1H3/p+1/t18-/m1/s1