[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-methyl-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-methyl-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-methylisoxazol-5-yl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(3-methyl-5-isoxazolyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[(3-methylisoxazol-5-yl)methyl]ammonium Formula: C21H33N3O4+2 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=NOC(=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H31N3O4/c1-16-10-19(28-23-16)13-22-12-17-6-7-20(26-2)21(11-17)27-15-18(25)14-24-8-4-3-5-9-24/h6-7,10-11,18,22,25H,3-5,8-9,12-15H2,1-2H3/p+2/t18-/m1/s1