N-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]cyclohexanecarboxamide Formula: C18H27BrN3O2S+ MolecularWeight: 429.39488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H26BrN3O2S/c19-16-7-6-15(25-16)13-21-8-10-22(11-9-21)17(23)12-20-18(24)14-4-2-1-3-5-14/h6-7,14H,1-5,8-13H2,(H,20,24)/p+1