4-cyclohexyl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-cyclohexyl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-cyclohexyl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-cyclohexyl-N-(2-methoxy-4-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-cyclohexyl-N-(2-methoxy-4-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-cyclohexyl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carboxamide Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C18H26N4O4/c1-26-17-13-15(22(24)25)7-8-16(17)19-18(23)21-11-9-20(10-12-21)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,23)/p+1