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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C4=CC=CC=[NH+]4

InChI

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