butyl-[(2R)-3-[(R)-(4-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: butyl-[(2R)-3-[(R)-(4-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]azanium Openeye Name: butyl-[(2R)-2-hydroxy-3-[(R)-phenyl(p-tolyl)methoxy]propyl]ammonium CAS Name: butyl-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]ammonium IUPAC Name: butyl-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]azanium Traditional Name: butyl-[(2R)-2-hydroxy-3-[(R)-phenyl(p-tolyl)methoxy]propyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC(COC(C1=CC=CC=C1)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCC[NH2+]C[C@H](CO[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H29NO2/c1-3-4-14-22-15-20(23)16-24-21(18-8-6-5-7-9-18)19-12-10-17(2)11-13-19/h5-13,20-23H,3-4,14-16H2,1-2H3/p+1/t20-,21-/m1/s1