5-chloranyl-3-(1-cyclopropyl-4-methyl-piperazin-1-ium-1-yl)-4-fluoranyl-2-methyl-6-nitro-N-pentan-3-yl-aniline

Systemtic Name: 5-chloranyl-3-(1-cyclopropyl-4-methyl-piperazin-1-ium-1-yl)-4-fluoranyl-2-methyl-6-nitro-N-pentan-3-yl-aniline Openeye Name: 5-chloro-3-(1-cyclopropyl-4-methyl-piperazin-1-ium-1-yl)-N-(1-ethylpropyl)-4-fluoro-2-methyl-6-nitro-aniline CAS Name: 5-chloro-3-(1-cyclopropyl-4-methyl-1-piperazin-1-iumyl)-4-fluoro-2-methyl-6-nitro-N-pentan-3-ylaniline IUPAC Name: 5-chloro-3-(1-cyclopropyl-4-methylpiperazin-1-ium-1-yl)-4-fluoro-2-methyl-6-nitro-N-pentan-3-ylaniline Traditional Name: [5-chloro-3-(1-cyclopropyl-4-methyl-piperazin-1-ium-1-yl)-4-fluoro-2-methyl-6-nitro-phenyl]-(1-ethylpropyl)amine Formula: C20H31ClFN4O2+ MolecularWeight: 413.937143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=C(C(=C1[N+](=O)[O-])Cl)F)[N+]2(CCN(CC2)C)C3CC3)C

Isomeric SMILES

CCC(CC)NC1=C(C(=C(C(=C1[N+](=O)[O-])Cl)F)[N+]2(CCN(CC2)C)C3CC3)C

InChI

InChI=1S/C20H31ClFN4O2/c1-5-14(6-2)23-18-13(3)20(17(22)16(21)19(18)25(27)28)26(15-7-8-15)11-9-24(4)10-12-26/h14-15,23H,5-12H2,1-4H3/q+1