1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-cycloheptyl-4-(4-nitrobenzyl)piperazine; oxalic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c22-21(23)18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-1-2-4-6-17;3-1(4)2(5)6/h7-10,17H,1-6,11-15H2;(H,3,4)(H,5,6)