[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Formula: C18H19ClN3O3+ MolecularWeight: 360.81476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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