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

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

Isomeric SMILES

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

InChI

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