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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-cycloheptyl-piperazine-1,4-diium Formula: C18H29ClN2+2 MolecularWeight: 308.88926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2/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