1-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-tosyl-piperazin-1-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-15-6-8-17(9-7-15)26(24,25)20-12-10-19(11-13-20)14-16-4-2-3-5-18(16)21(22)23/h2-9H,10-14H2,1H3/p+1