N-(2-chloranyl-4-nitro-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2-chloro-4-nitrophenyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C16H17Cl2N4O3S+ MolecularWeight: 416.30218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16Cl2N4O3S/c17-13-9-11(22(24)25)1-3-14(13)19-16(23)21-7-5-20(6-8-21)10-12-2-4-15(18)26-12/h1-4,9H,5-8,10H2,(H,19,23)/p+1