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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-3-6-15-7-9-16(10-8-15)22(20,21)14-11-13(17(18)19)5-4-12(14)2/h3-5,11H,1,6-10H2,2H3/p+1