(2-morpholin-4-yl-5-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-morpholin-4-yl-5-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-morpholino-5-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-morpholinyl)-5-nitrophenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-morpholin-4-yl-5-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-morpholino-5-nitro-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c25-20(23-6-4-21(5-7-23)14-16-3-12-29-15-16)18-13-17(24(26)27)1-2-19(18)22-8-10-28-11-9-22/h1-3,12-13,15H,4-11,14H2/p+1