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

Systemtic Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-nitrophenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C24H24N3O4+ MolecularWeight: 418.46506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4/c28-24(20-9-11-21(12-10-20)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-22-6-2-1-3-7-22/h1-12,17H,13-16,18H2/p+1