3-bromanyl-4-ethoxy-5-methoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C20H25BrN3O3+ MolecularWeight: 435.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OC

InChI

InChI=1S/C20H24BrN3O3/c1-3-27-19-16(21)11-15(12-17(19)26-2)20(25)23-13-14-6-7-22-18(10-14)24-8-4-5-9-24/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,23,25)/p+1