N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C15H22ClN4O3+ MolecularWeight: 341.81318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H21ClN4O3/c16-13-10-12(20(22)23)4-5-14(13)17-6-7-18-15(21)11-19-8-2-1-3-9-19/h4-5,10,17H,1-3,6-9,11H2,(H,18,21)/p+1