1-(diphenylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-benzhydryl-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C22H25N3+2 MolecularWeight: 331.454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N3/c1-3-9-19(10-4-1)22(20-11-5-2-6-12-20)25-17-15-24(16-18-25)21-13-7-8-14-23-21/h1-14,22H,15-18H2/p+2