(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(3-methoxyphenyl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N4O2+2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N4O2/c1-30-21-11-7-10-20(18-21)26-24(29)23(19-8-3-2-4-9-19)28-16-14-27(15-17-28)22-12-5-6-13-25-22/h2-13,18,23H,14-17H2,1H3,(H,26,29)/p+2/t23-/m0/s1