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

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-ol Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-ol CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinol IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-ol Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-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)N3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-17-8-10-19(11-9-17)26(24,25)14-2-3-15(16(12-14)20(22)23)18-6-4-13(21)5-7-18/h2-3,12-13,21H,4-11H2,1H3/p+1