1-[(2-fluorophenyl)methyl]-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C23H30FN4O4S+ MolecularWeight: 477.572103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C23H29FN4O4S/c1-18-8-10-27(11-9-18)33(31,32)20-6-7-22(23(16-20)28(29)30)26-14-12-25(13-15-26)17-19-4-2-3-5-21(19)24/h2-7,16,18H,8-15,17H2,1H3/p+1