1-[(2R)-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2R)-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-2-hydroxy-3-[4-[(indan-2-ylamino)methyl]-2-methoxy-phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-2-hydroxy-3-[4-[(indan-2-ylamino)methyl]-2-methoxy-phenoxy]propyl]piperidin-1-ium-4-ol Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2CC3=CC=CC=C3C2)OCC(C[NH+]4CCC(CC4)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2CC3=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+1/t23-/m1/s1