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

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C25H27ClN3O2+ MolecularWeight: 436.95378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4O)Cl

InChI

InChI=1S/C25H26ClN3O2/c1-18-11-12-20(17-21(18)26)27-25(31)24(19-7-3-2-4-8-19)29-15-13-28(14-16-29)22-9-5-6-10-23(22)30/h2-12,17,24,30H,13-16H2,1H3,(H,27,31)/p+1/t24-/m0/s1