3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)propan-1-one Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O3/c20-17-3-1-2-4-18(17)22-13-11-21(12-14-22)10-9-19(24)15-5-7-16(8-6-15)23(25)26/h1-8H,9-14H2/p+1