N-(1-methylpiperidin-1-ium-4-yl)-4-nitro-benzamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-4-nitro-benzamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-4-nitro-benzamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-4-nitrobenzamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-4-nitrobenzamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-4-nitro-benzamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-15-8-6-11(7-9-15)14-13(17)10-2-4-12(5-3-10)16(18)19/h2-5,11H,6-9H2,1H3,(H,14,17)/p+1