N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide CAS Name: N-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-(4-fluorobenzyl)pyrazinamide Formula: C21H27FN5O2+ MolecularWeight: 400.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H26FN5O2/c1-2-25-11-13-26(14-12-25)20(28)7-10-27(16-17-3-5-18(22)6-4-17)21(29)19-15-23-8-9-24-19/h3-6,8-9,15H,2,7,10-14,16H2,1H3/p+1