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

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H32N4O4+2 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CC3=NON=C3C=C2)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CC3=NON=C3C=C2)OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C23H30N4O4/c1-29-22-8-6-18(14-24-13-17-5-7-20-21(11-17)26-31-25-20)12-23(22)30-16-19(28)15-27-9-3-2-4-10-27/h5-8,11-12,19,24,28H,2-4,9-10,13-16H2,1H3/p+2/t19-/m1/s1