1-(3,4-dimethylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4S/c1-15-7-8-18(13-16(15)2)27(25,26)21-11-9-20(10-12-21)14-17-5-3-4-6-19(17)22(23)24/h3-8,13H,9-12,14H2,1-2H3/p+1