[4-methoxy-3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(2-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [4-methoxy-3-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(2-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(2-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(2-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-o-anisyl-ammonium Formula: C25H38N2O4+2 MolecularWeight: 430.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@H](C[NH+]2CCCCC2)O)CC3=CC=CC=C3OC

InChI

InChI=1S/C25H36N2O4/c1-26(17-21-9-5-6-10-23(21)29-2)16-20-11-12-24(30-3)25(15-20)31-19-22(28)18-27-13-7-4-8-14-27/h5-6,9-12,15,22,28H,4,7-8,13-14,16-19H2,1-3H3/p+2/t22-/m0/s1