(2R)-1-[(S)-(4-methylphenyl)-phenyl-methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[(S)-(4-methylphenyl)-phenyl-methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[(S)-phenyl(p-tolyl)methoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[(S)-phenyl(p-tolyl)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=C(C=C1)C(C2=CC=CC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-18-10-12-20(13-11-18)22(19-8-4-2-5-9-19)25-17-21(24)16-23-14-6-3-7-15-23/h2,4-5,8-13,21-22,24H,3,6-7,14-17H2,1H3/p+1/t21-,22+/m1/s1