[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(3-bromobenzyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C22H22BrN2O+ MolecularWeight: 410.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21BrN2O/c23-19-8-3-5-17(15-19)16-24-11-13-25(14-12-24)22(26)21-10-4-7-18-6-1-2-9-20(18)21/h1-10,15H,11-14,16H2/p+1