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

Systemtic Name: 3-imidazol-1-ylpropyl-[[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-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H34N4O4+2 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OC[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C21H32N4O4/c1-27-21-13-18(14-22-5-2-7-25-8-6-23-17-25)3-4-20(21)29-16-19(26)15-24-9-11-28-12-10-24/h3-4,6,8,13,17,19,22,26H,2,5,7,9-12,14-16H2,1H3/p+2/t19-/m1/s1