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

Systemtic Name: [(3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]methanol Openeye Name: [(3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3-piperidyl]methanol CAS Name: [(3S)-1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-3-piperidinyl]methanol IUPAC Name: [(3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-yl]methanol Traditional Name: [(3S)-1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3-piperidyl]methanol Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-18-7-9-20(10-8-18)27(25,26)15-4-5-16(17(11-15)21(23)24)19-6-2-3-14(12-19)13-22/h4-5,11,14,22H,2-3,6-10,12-13H2,1H3/p+1/t14-/m0/s1