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

Systemtic Name: [4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C21H21BrN3O2+ MolecularWeight: 427.31434

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2/c22-17-2-3-18-16(13-17)1-4-20(26)19(18)14-24-9-11-25(12-10-24)21(27)15-5-7-23-8-6-15/h1-8,13,26H,9-12,14H2/p+1