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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-(3-phenylpropyl)ammonium Formula: C25H38N2O4+2 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CCCC3=CC=CC=C3

InChI

InChI=1S/C25H36N2O4/c1-30-24-9-10-25(31-19-23(29)18-27-14-11-22(28)12-15-27)21(16-24)17-26-13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22-23,26,28-29H,5,8,11-15,17-19H2,1H3/p+2/t23-/m1/s1