1-[(3-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[[(1S)-1-cyclohex-3-enyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Formula: C18H27ClN2+2 MolecularWeight: 306.87338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H25ClN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/p+2/t16-/m1/s1