N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(4-fluorobenzyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H22FN4O3+ MolecularWeight: 373.401383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN4O3/c1-22-8-10-23(11-9-22)17-7-4-15(12-18(17)24(26)27)19(25)21-13-14-2-5-16(20)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,21,25)/p+1