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

Systemtic Name: [3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C21H31N3O4+2 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-26-20-6-2-5-18(14-23-13-17-4-3-7-22-12-17)21(20)28-16-19(25)15-24-8-10-27-11-9-24/h2-7,12,19,23,25H,8-11,13-16H2,1H3/p+2/t19-/m1/s1