1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethyl-4-(4-nitrophenyl)piperazin-1-ium tosylate Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N3O2.C7H8O3S/c1-15(2)9-7-13(8-10-15)11-3-5-12(6-4-11)14(16)17;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7-10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1