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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-cycloheptyl-piperazine-1,4-diium Formula: C18H29BrN2+2 MolecularWeight: 353.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCC(CC1)[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H27BrN2/c19-17-7-5-6-16(14-17)15-20-10-12-21(13-11-20)18-8-3-1-2-4-9-18/h5-7,14,18H,1-4,8-13,15H2/p+2