1-[(1R,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-nosyl-piperazin-1-ium Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-14-4-2-3-5-17(14)18-10-12-19(13-11-18)25(23,24)16-8-6-15(7-9-16)20(21)22/h6-9,14,17H,2-5,10-13H2,1H3/p+1/t14-,17+/m0/s1