1-(cyclohex-3-en-1-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1-cyclohex-3-enylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O2.C2H2O4/c22-21(23)18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2;(H,3,4)(H,5,6)