(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H25N3O2/c1-16(20(25)21-15-17-5-3-2-4-6-17)22-11-13-23(14-12-22)18-7-9-19(24)10-8-18/h2-10,16,24H,11-15H2,1H3,(H,21,25)/p+1/t16-/m1/s1