isoquinolin-5-ylmethyl-methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(5-isoquinolylmethyl)-methyl-ammonium Formula: C26H35N3O2+2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1OC[C@@H](C[NH+]2CCCCC2)O)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H33N3O2/c1-28(17-22-10-7-9-21-16-27-13-12-25(21)22)18-23-8-3-4-11-26(23)31-20-24(30)19-29-14-5-2-6-15-29/h3-4,7-13,16,24,30H,2,5-6,14-15,17-20H2,1H3/p+2/t24-/m1/s1