1-[4-(2,4-dinitrophenyl)sulfanylphenyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(2,4-dinitrophenyl)sulfanylphenyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2,4-dinitrophenyl)sulfanylphenyl]-4-methyl-piperazin-4-ium CAS Name: 1-[4-[(2,4-dinitrophenyl)thio]phenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2,4-dinitrophenyl)sulfanylphenyl]-4-methylpiperazin-4-ium Traditional Name: 1-[4-[(2,4-dinitrophenyl)thio]phenyl]-4-methyl-piperazin-4-ium Formula: C17H19N4O4S+ MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-18-8-10-19(11-9-18)13-2-5-15(6-3-13)26-17-7-4-14(20(22)23)12-16(17)21(24)25/h2-7,12H,8-11H2,1H3/p+1