1-(3-methylbut-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-(3-methylbut-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-(3-methylbut-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-(3-methylbut-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(3-methylbut-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(3-methylbut-2-enyl)piperazin-4-ium Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-13(2)6-7-17-8-10-18(11-9-17)15-5-4-14(24(3,22)23)12-16(15)19(20)21/h4-6,12H,7-11H2,1-3H3/p+1