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

Systemtic Name: 1-(3-nitrophenyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-(3-nitrophenyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-(3-nitrophenyl)-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(3-nitrophenyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(3-nitrophenyl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c23-17(20-14-4-3-5-15(11-14)22(24)25)19-12-13-6-7-18-16(10-13)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H2,19,20,23)/p+1