1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbut-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC=C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC=C(C)C

InChI

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