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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)CNC3CC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)CNC3CC4=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+1/t23-/m1/s1