(2S)-N-(2,4-dimethylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15-8-9-18(16(2)14-15)22-21(26)17(3)23-10-12-24(13-11-23)19-6-4-5-7-20(19)25/h4-9,14,17,25H,10-13H2,1-3H3,(H,22,26)/p+1/t17-/m0/s1