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

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O/c1-17(18-7-3-2-4-8-18)15-22-20(25)16-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h2-10,17H,11-16H2,1H3,(H,22,25)/p+2/t17-/m1/s1