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

Systemtic Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O3/c1-15(16-4-7-18(22)8-5-16)24(3)21(27)17-6-9-19(20(14-17)26(28)29)25-12-10-23(2)11-13-25/h4-9,14-15H,10-13H2,1-3H3/p+1/t15-/m0/s1