3-bromanyl-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 3-bromo-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 3-bromo-4-methoxy-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 3-bromo-4-methoxy-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C17H19BrN3O2+ MolecularWeight: 377.25566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)Br

InChI

InChI=1S/C17H18BrN3O2/c1-23-15-6-4-12(10-14(15)18)17(22)20-13-5-7-16(19-11-13)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,22)/p+1