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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxidanylidene-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyridinyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridin-1-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-keto-5-methoxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-pyridyl]acetamide Formula: C26H30FN4O3+ MolecularWeight: 465.539803

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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)NCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN4O3/c1-34-25-18-31(19-26(33)28-16-20-7-9-21(27)10-8-20)23(15-24(25)32)17-29-11-13-30(14-12-29)22-5-3-2-4-6-22/h2-10,15,18H,11-14,16-17,19H2,1H3,(H,28,33)/p+1