2-[2-[(2S)-butan-2-yl]phenoxy]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide CAS Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4O2/c1-4-17(2)19-7-5-6-8-20(19)28-16-22(27)24-18-9-10-21(23-15-18)26-13-11-25(3)12-14-26/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,24,27)/p+1/t17-/m0/s1