1-[(5-chloranylthiophen-2-yl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(2,4-dinitrophenyl)piperazin-1-ium Formula: C15H16ClN4O4S+ MolecularWeight: 383.82994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN4O4S/c16-15-4-2-12(25-15)10-17-5-7-18(8-6-17)13-3-1-11(19(21)22)9-14(13)20(23)24/h1-4,9H,5-8,10H2/p+1