[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]ammonium Formula: C22H32N2O2+2 MolecularWeight: 356.50168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O2/c1-18-7-5-6-10-22(18)26-17-21(25)15-23-20-11-13-24(14-12-20)16-19-8-3-2-4-9-19/h2-10,20-21,23,25H,11-17H2,1H3/p+2/t21-/m0/s1