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

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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