4-[(5-chloranylthiophen-2-yl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(3-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C16H18ClN4O3S+ MolecularWeight: 381.85712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S/c17-15-5-4-14(25-15)11-19-6-8-20(9-7-19)16(22)18-12-2-1-3-13(10-12)21(23)24/h1-5,10H,6-9,11H2,(H,18,22)/p+1