N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-4-chloranyl-2-nitro-benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-chloro-2-nitro-benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-4-chloro-2-nitrobenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-chloro-2-nitro-benzamide Formula: C14H18ClN4O4+ MolecularWeight: 341.77012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C14H17ClN4O4/c15-9-1-2-11(12(7-9)19(22)23)14(21)17-10-3-5-18(6-4-10)8-13(16)20/h1-2,7,10H,3-6,8H2,(H2,16,20)(H,17,21)/p+1