dimethyl-[(2S)-2-oxidanyl-3-[4-[(4-phenethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium

Systemtic Name: dimethyl-[(2S)-2-oxidanyl-3-[4-[(4-phenethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-[(4-phenethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[(4-phenethyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-[(4-phenethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-[(4-phenethylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-dimethyl-ammonium Formula: C25H38N2O2+2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC3=CC=CC=C3)O

Isomeric SMILES

C[NH+](C)C[C@@H](COC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC3=CC=CC=C3)O

InChI

InChI=1S/C25H36N2O2/c1-26(2)19-24(28)20-29-25-12-10-23(11-13-25)18-27-16-14-22(15-17-27)9-8-21-6-4-3-5-7-21/h3-7,10-13,22,24,28H,8-9,14-20H2,1-2H3/p+2/t24-/m0/s1