[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C25H33N3O4+2 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=NOC(=C2)C3=CC=CC=C3)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=NOC(=C2)C3=CC=CC=C3)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C25H31N3O4/c1-30-25-13-19(9-10-23(25)31-18-22(29)17-28-11-5-6-12-28)15-26-16-21-14-24(32-27-21)20-7-3-2-4-8-20/h2-4,7-10,13-14,22,26,29H,5-6,11-12,15-18H2,1H3/p+2/t22-/m1/s1