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

Systemtic Name: (3-ethyl-1,2-oxazol-5-yl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (3-ethylisoxazol-5-yl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (3-ethyl-5-isoxazolyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (3-ethyl-1,2-oxazol-5-yl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (3-ethylisoxazol-5-yl)methyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H33N3O4+2 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

CCC1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C21H31N3O4/c1-3-17-11-19(28-23-17)13-22-12-16-6-7-20(21(10-16)26-2)27-15-18(25)14-24-8-4-5-9-24/h6-7,10-11,18,22,25H,3-5,8-9,12-15H2,1-2H3/p+2/t18-/m1/s1