(4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(2-nitrophenyl)sulfonyl-3-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[(3S)-1-(2-nitrophenyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(2-nitrophenyl)sulfonyl-3-piperidyl]methanone Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-18-9-11-19(12-10-18)17(22)14-5-4-8-20(13-14)27(25,26)16-7-3-2-6-15(16)21(23)24/h2-3,6-7,14H,4-5,8-13H2,1H3/p+1/t14-/m0/s1