N-[(2S)-2-phenylbutyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-phenylbutyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-phenylbutyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-phenylbutyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-2-18(19-8-4-3-5-9-19)16-23-21(26)17-24-12-14-25(15-13-24)20-10-6-7-11-22-20/h3-11,18H,2,12-17H2,1H3,(H,23,26)/p+1/t18-/m1/s1