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

Systemtic Name: [3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C23H35N3O4+2 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CCCC3=CN=CC=C3

InChI

InChI=1S/C23H33N3O4/c1-28-22-8-2-7-20(16-25-10-4-6-19-5-3-9-24-15-19)23(22)30-18-21(27)17-26-11-13-29-14-12-26/h2-3,5,7-9,15,21,25,27H,4,6,10-14,16-18H2,1H3/p+2/t21-/m1/s1