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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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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)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O5S/c1-16-7-8-17(22(23)24)15-19(16)28(25,26)21-11-9-20(10-12-21)13-14-27-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3/p+1