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

Systemtic Name: (4-ethylphenyl)methyl-[[3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: (4-ethylphenyl)methyl-[[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: (4-ethylphenyl)methyl-[[4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-methylammonium IUPAC Name: (4-ethylphenyl)methyl-[[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]-methylazanium Traditional Name: (4-ethylbenzyl)-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-ammonium Formula: C25H38N2O4+2 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC2=CC(=C(C=C2)OCC(C[NH+]3CCOCC3)O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCOCC3)O)OC

InChI

InChI=1S/C25H36N2O4/c1-4-20-5-7-21(8-6-20)16-26(2)17-22-9-10-24(25(15-22)29-3)31-19-23(28)18-27-11-13-30-14-12-27/h5-10,15,23,28H,4,11-14,16-19H2,1-3H3/p+2/t23-/m1/s1