(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylbenzyl)propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)15-22-21(26)17(2)23-11-13-24(14-12-23)19-5-3-4-6-20(19)25/h3-10,17,25H,11-15H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1