[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2O2S/c1-22-14-4-2-3-13(11-14)17(21)20-9-7-19(8-10-20)12-15-5-6-16(18)23-15/h2-6,11H,7-10,12H2,1H3/p+1