(2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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