2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide IUPAC Name: 2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide Traditional Name: 2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[C@H](C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C22H30N4O/c1-16-13-18(3)20(14-17(16)2)19(4)24-22(27)15-25-9-11-26(12-10-25)21-7-5-6-8-23-21/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,24,27)/p+1/t19-/m0/s1