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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-15-9-18(27-22-15)12-21-11-16-5-6-19(20(10-16)25-2)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