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

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-[[2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH2+]CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O)C

InChI

InChI=1S/C21H32N4O3/c1-16-18(13-24(2)23-16)12-22-11-17-6-7-20(27-3)10-21(17)28-15-19(26)14-25-8-4-5-9-25/h6-7,10,13,19,22,26H,4-5,8-9,11-12,14-15H2,1-3H3/p+2/t19-/m1/s1