[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(3-isopropylisoxazol-5-yl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(3-propan-2-yl-5-isoxazolyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[(3-isopropylisoxazol-5-yl)methyl]ammonium Formula: C23H37N3O4+2 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)C1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H35N3O4/c1-17(2)21-12-20(30-25-21)14-24-13-18-7-8-22(28-3)23(11-18)29-16-19(27)15-26-9-5-4-6-10-26/h7-8,11-12,17,19,24,27H,4-6,9-10,13-16H2,1-3H3/p+2/t19-/m1/s1