(2S)-1-[(S)-(2-methylphenyl)-phenyl-methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[(S)-(2-methylphenyl)-phenyl-methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[(S)-o-tolyl(phenyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[(S)-o-tolyl(phenyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-18-10-6-7-13-21(18)22(19-11-4-2-5-12-19)25-17-20(24)16-23-14-8-3-9-15-23/h2,4-7,10-13,20,22,24H,3,8-9,14-17H2,1H3/p+1/t20-,22-/m0/s1