4-[2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-(4-isopentylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-(4-isoamylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H30N4O5S/c1-16(2)5-6-20-7-9-21(10-8-20)18-4-3-17(23(24)25)15-19(18)29(26,27)22-11-13-28-14-12-22/h3-4,15-16H,5-14H2,1-2H3/p+1