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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

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