(2S)-N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-phenoxyphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-phenoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-phenoxyphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26N4O2/c1-19(27-15-17-28(18-16-27)23-9-5-6-14-25-23)24(29)26-20-10-12-22(13-11-20)30-21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3,(H,26,29)/p+1/t19-/m0/s1