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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-propan-2-yloxyethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-isopropoxyethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-isopropoxyethyl)ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC(C)OCC[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C21H36N2O4/c1-17(2)26-12-9-22-14-18-7-8-20(25-3)21(13-18)27-16-19(24)15-23-10-5-4-6-11-23/h7-8,13,17,19,22,24H,4-6,9-12,14-16H2,1-3H3/p+2/t19-/m1/s1