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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CC3=CC=CC=C3C2)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CC3=CC=CC=C3C2)OC[C@@H](C[NH+]4CCC(CC4)O)O

InChI

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