N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-4-nitro-benzamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H21N3O3/c1-3-17-8-6-13(7-9-17)16-15(19)12-4-5-14(18(20)21)11(2)10-12/h4-5,10,13H,3,6-9H2,1-2H3,(H,16,19)/p+1