[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H22BrN2O2+ MolecularWeight: 426.32628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O2/c23-18-7-8-19-17(14-18)6-9-21(26)20(19)15-24-10-12-25(13-11-24)22(27)16-4-2-1-3-5-16/h1-9,14,26H,10-13,15H2/p+1