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1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name:1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
Openeye Name:1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CAS Name:1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
IUPAC Name:1-cycloheptyl-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
Traditional Name:1-cycloheptyl-4-(3-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)18-9-5-6-16(14-18)15-19-10-12-20(13-11-19)17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2/p+2


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