[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[1-(furan-2-ylcarbonyl)piperidin-4-yl]methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[1-(furan-2-ylcarbonyl)piperidin-4-yl]methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[1-(furan-2-carbonyl)-4-piperidyl]methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[1-(furan-2-carbonyl)piperidin-4-yl]methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[1-(2-furoyl)-4-piperidyl]methanone Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H24BrN3O3S/c21-18-4-3-16(28-18)14-22-9-11-24(12-10-22)19(25)15-5-7-23(8-6-15)20(26)17-2-1-13-27-17/h1-4,13,15H,5-12,14H2/p+1