(2S)-N-(3-chloranyl-2-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-2-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24ClN3O2/c1-14-16(21)6-5-7-17(14)22-20(26)15(2)23-10-12-24(13-11-23)18-8-3-4-9-19(18)25/h3-9,15,25H,10-13H2,1-2H3,(H,22,26)/p+1/t15-/m0/s1