(3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-ol

Systemtic Name: (3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-ol Openeye Name: (3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-ol CAS Name: (3S)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-3-piperidinol IUPAC Name: (3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-ol Traditional Name: (3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-ol Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-17-7-9-19(10-8-17)26(24,25)14-4-5-15(16(11-14)20(22)23)18-6-2-3-13(21)12-18/h4-5,11,13,21H,2-3,6-10,12H2,1H3/p+1/t13-/m0/s1