naphthalen-1-yl-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-naphthyl-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1-naphthalenyl-[4-(2-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-1-yl-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1-naphthyl-[4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N3O+2 MolecularWeight: 333.42682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O/c25-21(20-10-5-7-17-6-1-2-9-19(17)20)24-14-12-23(13-15-24)16-18-8-3-4-11-22-18/h1-11H,12-16H2/p+2