[(2S)-2-(3-hydroxyphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2S)-2-(3-hydroxyphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(3-hydroxyphenyl)ethyl]ammonium CAS Name: [(2S)-2-(3-hydroxyphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(3-hydroxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(3-hydroxyphenyl)ethyl]ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C[NH3+])C3=CC(=CC=C3)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C[NH3+])C3=CC(=CC=C3)O

InChI

InChI=1S/C20H26N2O/c21-15-20(18-7-4-8-19(23)14-18)22-11-9-17(10-12-22)13-16-5-2-1-3-6-16/h1-8,14,17,20,23H,9-13,15,21H2/p+2/t20-/m1/s1