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

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c1-18(19-7-3-2-4-8-19)15-23-21(26)17-25-13-11-24(12-14-25)16-20-9-5-6-10-22-20/h2-10,18H,11-17H2,1H3,(H,23,26)/p+1/t18-/m1/s1