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

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C24H27ClN4O2+2 MolecularWeight: 438.94978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O2/c1-31-21-11-10-19(17-20(21)25)27-24(30)23(18-7-3-2-4-8-18)29-15-13-28(14-16-29)22-9-5-6-12-26-22/h2-12,17,23H,13-16H2,1H3,(H,27,30)/p+2/t23-/m0/s1