1-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-[(1-methyl-3-pyrrolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium Formula: C17H23FN3O2S+ MolecularWeight: 352.446823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C17H22FN3O2S/c1-14(15-3-5-16(18)6-4-15)20-9-11-21(12-10-20)24(22,23)17-7-8-19(2)13-17/h3-8,13-14H,9-12H2,1-2H3/p+1/t14-/m0/s1