1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3,5-dimethylbenzyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

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