[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2-nitrophenyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Formula: C18H19ClN3O3+ MolecularWeight: 360.81476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3/c19-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22(24)25/h1-8H,9-13H2/p+1