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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C22H35N3O3S+2 MolecularWeight: 421.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+](C)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=NC(=CS1)C[NH+](C)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H33N3O3S/c1-17-23-19(16-29-17)13-24(2)12-18-7-8-21(27-3)22(11-18)28-15-20(26)14-25-9-5-4-6-10-25/h7-8,11,16,20,26H,4-6,9-10,12-15H2,1-3H3/p+2/t20-/m1/s1