(2S)-N-(4-methylphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N4O+2 MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N4O/c1-19-10-12-21(13-11-19)26-24(29)23(20-7-3-2-4-8-20)28-17-15-27(16-18-28)22-9-5-6-14-25-22/h2-14,23H,15-18H2,1H3,(H,26,29)/p+2/t23-/m0/s1