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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2-nitrophenoxy)acetamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-21-8-10-22(11-9-21)17-7-6-14(12-19-17)20-18(24)13-27-16-5-3-2-4-15(16)23(25)26/h2-7,12H,8-11,13H2,1H3,(H,20,24)/p+1