1-[(2S)-butan-2-yl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1S)-1-methylpropyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2S)-butan-2-yl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2S)-butan-2-yl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1S)-1-methylpropyl]-4-nosyl-piperazin-1-ium Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4S/c1-3-12(2)15-8-10-16(11-9-15)22(20,21)14-6-4-13(5-7-14)17(18)19/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1