3,3-diphenyl-1-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3,3-diphenyl-1-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3,3-diphenyl-1-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3,3-diphenyl-1-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3,3-diphenyl-1-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3,3-diphenyl-1-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C29H30N3O+ MolecularWeight: 436.568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O/c33-28(21-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24)32-19-17-31(18-20-32)22-26-14-7-13-25-15-8-16-30-29(25)26/h1-16,27H,17-22H2/p+1