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

Systemtic Name: 1-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C21H28BrN3O3+2 MolecularWeight: 450.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=CC(=C3)Br)O)C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C21H26BrN3O3/c22-17-2-3-18-16(13-17)1-4-20(26)19(18)14-23-5-7-25(8-6-23)21(27)15-24-9-11-28-12-10-24/h1-4,13,26H,5-12,14-15H2/p+2