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

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(o-tolyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(o-tolyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c1-16-7-3-4-8-18(16)17(2)22-20(25)15-23-11-13-24(14-12-23)19-9-5-6-10-21-19/h3-10,17H,11-15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1