2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c1-15-3-2-6-21(14-15)28(26,27)16-4-5-17(18(13-16)22(24)25)20-9-7-19(8-10-20)11-12-23/h4-5,13,15,23H,2-3,6-12,14H2,1H3/p+1/t15-/m0/s1