4-[4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Formula: C19H29N4O5S+ MolecularWeight: 425.52236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5S/c1-16(2)5-6-20-7-9-21(10-8-20)18-4-3-17(15-19(18)23(24)25)29(26,27)22-11-13-28-14-12-22/h3-5,15H,6-14H2,1-2H3/p+1