2-chloranyl-4-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 2-chloro-4-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 2-chloro-4-nitro-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 2-chloro-4-nitro-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C16H16ClN4O3+ MolecularWeight: 347.77624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O3/c17-14-9-12(21(23)24)4-5-13(14)16(22)19-11-3-6-15(18-10-11)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,19,22)/p+1