[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]ammonium Formula: C23H34N2O4+2 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H32N2O4/c1-28-23-13-19(15-24-14-18-5-3-2-4-6-18)7-8-22(23)29-17-21(27)16-25-11-9-20(26)10-12-25/h2-8,13,20-21,24,26-27H,9-12,14-17H2,1H3/p+2/t21-/m1/s1