2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 3-chloranylbenzoate

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 3-chloranylbenzoate Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl ester Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c20-16-3-1-2-15(14-16)19(24)27-13-12-21-8-10-22(11-9-21)17-4-6-18(7-5-17)23(25)26/h1-7,14H,8-13H2/p+1