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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C20H31N3O3S+2 MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

CC1=NC(=CS1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C20H29N3O3S/c1-15-22-17(14-27-15)11-21-10-16-5-6-19(20(9-16)25-2)26-13-18(24)12-23-7-3-4-8-23/h5-6,9,14,18,21,24H,3-4,7-8,10-13H2,1-2H3/p+2/t18-/m1/s1