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

Systemtic Name: 2-[4-[(2-chloranyl-4-nitro-phenyl)amino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-anilino)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(2-chloro-4-nitroanilino)-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(2-chloro-4-nitroanilino)piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2-chloro-4-nitro-anilino)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O3/c20-17-12-16(24(26)27)6-7-18(17)21-15-8-10-23(11-9-15)13-19(25)22-14-4-2-1-3-5-14/h1-7,12,15,21H,8-11,13H2,(H,22,25)/p+1