N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC(C)[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C20H27N5O/c1-16(2)20(17-6-4-3-5-7-17)23-19(26)15-24-10-12-25(13-11-24)18-14-21-8-9-22-18/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1