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

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [2-[(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=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C21H32N4O4/c1-27-20-5-2-4-18(14-22-6-3-8-25-9-7-23-17-25)21(20)29-16-19(26)15-24-10-12-28-13-11-24/h2,4-5,7,9,17,19,22,26H,3,6,8,10-16H2,1H3/p+2/t19-/m1/s1