[4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butyl-piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butyl-piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butyl-piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butyl-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butylpiperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[2-(4-bromophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-butyl-piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C30H34BrN4O+ MolecularWeight: 546.52116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC4=CC=C(C=C4)Br)C5=CN=CN5

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)C(CC4=CC=C(C=C4)Br)C5=CN=CN5

InChI

InChI=1S/C30H34BrN4O/c1-2-3-17-35(29(28-21-32-22-33-28)20-23-11-13-25(31)14-12-23)18-15-34(16-19-35)30(36)27-10-6-8-24-7-4-5-9-26(24)27/h4-14,21-22,29H,2-3,15-20H2,1H3,(H,32,33)/q+1