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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C21H33N3O3S+2 MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-16-22-18(15-28-16)12-23(2)11-17-6-7-20(26-3)10-21(17)27-14-19(25)13-24-8-4-5-9-24/h6-7,10,15,19,25H,4-5,8-9,11-14H2,1-3H3/p+2/t19-/m1/s1