N-(4-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-nitrophenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(4-nitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-nitrophenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c17-13(10-15-8-2-1-3-9-15)14-11-4-6-12(7-5-11)16(18)19/h4-7H,1-3,8-10H2,(H,14,17)/p+1