isoquinolin-5-ylmethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-azanium

Systemtic Name: isoquinolin-5-ylmethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(5-isoquinolylmethyl)-methyl-ammonium Formula: C26H35N3O3+2 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OCC(C[NH+]2CCCC2)O)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC[C@@H](C[NH+]2CCCC2)O)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H33N3O3/c1-28(16-21-7-5-6-20-15-27-11-10-25(20)21)17-22-8-9-24(31-2)14-26(22)32-19-23(30)18-29-12-3-4-13-29/h5-11,14-15,23,30H,3-4,12-13,16-19H2,1-2H3/p+2/t23-/m1/s1