1-[(2-fluorophenyl)methyl]-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C23H30FN4O4S+ MolecularWeight: 477.572103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C23H29FN4O4S/c1-18-5-4-10-27(16-18)33(31,32)20-8-9-22(23(15-20)28(29)30)26-13-11-25(12-14-26)17-19-6-2-3-7-21(19)24/h2-3,6-9,15,18H,4-5,10-14,16-17H2,1H3/p+1/t18-/m0/s1