methyl-[(2R)-2-oxidanyl-3-[4-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2R)-2-oxidanyl-3-[4-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-2-hydroxy-3-[4-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(1-piperidin-1-iumylmethyl)phenoxy]propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-2-hydroxy-3-[4-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]-methylazanium Traditional Name: benzyl-[(2R)-2-hydroxy-3-[4-(piperidin-1-ium-1-ylmethyl)phenoxy]propyl]-methyl-ammonium Formula: C23H34N2O2+2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)C[NH+]3CCCCC3)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H](COC2=CC=C(C=C2)C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H32N2O2/c1-24(16-20-8-4-2-5-9-20)18-22(26)19-27-23-12-10-21(11-13-23)17-25-14-6-3-7-15-25/h2,4-5,8-13,22,26H,3,6-7,14-19H2,1H3/p+2/t22-/m1/s1