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

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-indan-2-yl-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+]C3CC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H34N2O4/c1-30-24-6-7-25(31-17-23(29)16-27-10-8-22(28)9-11-27)20(14-24)15-26-21-12-18-4-2-3-5-19(18)13-21/h2-7,14,21-23,26,28-29H,8-13,15-17H2,1H3/p+2/t23-/m1/s1