2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C14H18N3O6+ MolecularWeight: 324.30922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c18-14(23-7-6-15-4-2-1-3-5-15)11-8-12(16(19)20)10-13(9-11)17(21)22/h8-10H,1-7H2/p+1