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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-(4-morpholinyl)-2-pyridin-1-iumyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-morpholinopyridin-1-ium-2-yl)methanone Formula: C19H25BrN4O2S+2 MolecularWeight: 453.3964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C19H23BrN4O2S/c20-18-2-1-16(27-18)14-22-5-7-24(8-6-22)19(25)17-13-15(3-4-21-17)23-9-11-26-12-10-23/h1-4,13H,5-12,14H2/p+2