1-cycloheptyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-cycloheptyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-cycloheptyl-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O2/c22-21(23)18-10-6-5-7-16(18)15-19-11-13-20(14-12-19)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2/p+2