4-(5-bromanylpyridin-1-ium-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(5-bromanylpyridin-1-ium-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-bromopyridin-1-ium-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(5-bromo-2-pyridin-1-iumyl)-N-(3-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(5-bromopyridin-1-ium-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-bromopyridin-1-ium-2-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide Formula: C17H20BrN4O2+ MolecularWeight: 392.2703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4O2/c1-24-15-4-2-3-14(11-15)20-17(23)22-9-7-21(8-10-22)16-6-5-13(18)12-19-16/h2-6,11-12H,7-10H2,1H3,(H,20,23)/p+1