(5-chloranyl-2-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-nitro-phenyl)methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-nitro-phenyl)methanone Formula: C18H19ClN3O3+ MolecularWeight: 360.81476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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