4-[(2R)-3-[(R)-(2-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2R)-3-[(R)-(2-methylphenyl)-phenyl-methoxy]-2-oxidanyl-propyl]piperazin-4-ium-2-one Openeye Name: 4-[(2R)-2-hydroxy-3-[(R)-o-tolyl(phenyl)methoxy]propyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]piperazin-4-ium-2-one Traditional Name: 4-[(2R)-2-hydroxy-3-[(R)-o-tolyl(phenyl)methoxy]propyl]piperazin-4-ium-2-one Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC(C[NH+]3CCNC(=O)C3)O

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C2=CC=CC=C2)OC[C@@H](C[NH+]3CCNC(=O)C3)O

InChI

InChI=1S/C21H26N2O3/c1-16-7-5-6-10-19(16)21(17-8-3-2-4-9-17)26-15-18(24)13-23-12-11-22-20(25)14-23/h2-10,18,21,24H,11-15H2,1H3,(H,22,25)/p+1/t18-,21-/m1/s1