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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-(1-phenylcyclopropyl)ammonium Formula: C25H36N2O4+2 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]C3(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N2O4/c1-30-23-7-8-24(31-18-22(29)17-27-13-9-21(28)10-14-27)19(15-23)16-26-25(11-12-25)20-5-3-2-4-6-20/h2-8,15,21-22,26,28-29H,9-14,16-18H2,1H3/p+2/t22-/m1/s1