2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyridinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-keto-5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]-N-(3-nitrophenyl)acetamide Formula: C25H28N5O5+ MolecularWeight: 478.52032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c1-35-24-17-29(18-25(32)26-19-6-5-9-21(14-19)30(33)34)22(15-23(24)31)16-27-10-12-28(13-11-27)20-7-3-2-4-8-20/h2-9,14-15,17H,10-13,16,18H2,1H3,(H,26,32)/p+1