1-[(2,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-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(=C(C=C1)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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