2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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