[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-methylsulfanyl-2-nitro-phenyl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-methylsulfanyl-2-nitro-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(5-methylsulfanyl-2-nitro-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[5-(methylthio)-2-nitrophenyl]methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(5-methylsulfanyl-2-nitrophenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-[5-(methylthio)-2-nitro-phenyl]methanone Formula: C17H19ClN3O3S2+ MolecularWeight: 412.93406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H18ClN3O3S2/c1-25-12-2-4-15(21(23)24)14(10-12)17(22)20-8-6-19(7-9-20)11-13-3-5-16(18)26-13/h2-5,10H,6-9,11H2,1H3/p+1