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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-oxidanylnaphthalen-2-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-hydroxy-2-naphthyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(1-hydroxy-2-naphthalenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-hydroxynaphthalen-2-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-hydroxy-2-naphthyl)methanone Formula: C20H20BrN2O2S+ MolecularWeight: 432.354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=C(C4=CC=CC=C4C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=C(C4=CC=CC=C4C=C3)O

InChI

InChI=1S/C20H19BrN2O2S/c21-18-8-6-15(26-18)13-22-9-11-23(12-10-22)20(25)17-7-5-14-3-1-2-4-16(14)19(17)24/h1-8,24H,9-13H2/p+1