1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-ethyl-1-(3-fluorobenzyl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H25FN4O/c1-2-24(15-17-6-5-7-18(21)12-17)20(26)23-14-16-8-9-22-19(13-16)25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,26)/p+1