2-(4-bromanylphenoxy)-1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C27H29BrN3O2+ MolecularWeight: 507.44206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC=C(C=C4)Br)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=CC=C(C=C4)Br)C5=CC=CC=C51

InChI

InChI=1S/C27H28BrN3O2/c1-2-31-25-6-4-3-5-23(25)24-17-20(7-12-26(24)31)18-29-13-15-30(16-14-29)27(32)19-33-22-10-8-21(28)9-11-22/h3-12,17H,2,13-16,18-19H2,1H3/p+1