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

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3/c1-21(2)19-9-8-17(24(26)27)14-18(19)20(25)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1