(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-acetamide Formula: C20H26ClN3O+2 MolecularWeight: 359.89294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O/c1-15-8-9-17(14-18(15)21)22-20(25)19(16-6-4-3-5-7-16)24-12-10-23(2)11-13-24/h3-9,14,19H,10-13H2,1-2H3,(H,22,25)/p+2/t19-/m0/s1