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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(3-methylisoxazol-5-yl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(3-methyl-5-isoxazolyl)methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[(3-methylisoxazol-5-yl)methyl]ammonium Formula: C20H31N3O4+2 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC1=NOC(=C1)C[NH2+]CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C20H29N3O4/c1-15-9-19(27-22-15)12-21-11-16-5-6-18(25-2)10-20(16)26-14-17(24)13-23-7-3-4-8-23/h5-6,9-10,17,21,24H,3-4,7-8,11-14H2,1-2H3/p+2/t17-/m1/s1