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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-3-17(2)18-7-9-19(10-8-18)23-21(26)16-24-12-14-25(15-13-24)20-6-4-5-11-22-20/h4-11,17H,3,12-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1