6-bromanyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol

Systemtic Name: 6-bromanyl-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol Openeye Name: 6-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol CAS Name: 6-bromo-1-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 6-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol Traditional Name: 6-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-2-naphthol Formula: C20H22BrN3O+2 MolecularWeight: 400.31218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H20BrN3O/c21-16-2-3-18-15(13-16)1-4-20(25)19(18)14-23-9-11-24(12-10-23)17-5-7-22-8-6-17/h1-8,13,25H,9-12,14H2/p+2