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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCOCC3)O)OC

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCOCC3)O)OC

InChI

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