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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CC3=NC=CS3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O)CC3=NC=CS3

InChI

InChI=1S/C21H31N3O3S/c1-23(15-21-22-8-11-28-21)13-17-6-7-19(26-2)20(12-17)27-16-18(25)14-24-9-4-3-5-10-24/h6-8,11-12,18,25H,3-5,9-10,13-16H2,1-2H3/p+2/t18-/m1/s1