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

Systemtic Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-cycloheptyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-cycloheptyl-4-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/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/h7-10,17H,1-6,11-15H2/p+2