2-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

InChI

InChI=1S/C20H24BrN3O2/c21-15-2-5-17-14(11-15)1-6-19(25)18(17)12-23-7-9-24(10-8-23)13-20(26)22-16-3-4-16/h1-2,5-6,11,16,25H,3-4,7-10,12-13H2,(H,22,26)/p+1