(2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H30N4O2+2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c1-19-11-12-22(31-2)21(18-19)27-25(30)24(20-8-4-3-5-9-20)29-16-14-28(15-17-29)23-10-6-7-13-26-23/h3-13,18,24H,14-17H2,1-2H3,(H,27,30)/p+2/t24-/m0/s1