(4-morpholin-4-yl-3-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-morpholin-4-yl-3-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(4-morpholinyl)-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-morpholino-3-nitro-phenyl)methanone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-22(25-10-8-23(9-11-25)17-18-4-2-1-3-5-18)19-6-7-20(21(16-19)26(28)29)24-12-14-30-15-13-24/h1-7,16H,8-15,17H2/p+1