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

Systemtic Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C28H32N3O2+ MolecularWeight: 442.57258

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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)C)C5=CC=CC=C51

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O2/c1-3-31-26-7-5-4-6-24(26)25-18-22(10-13-27(25)31)19-29-14-16-30(17-15-29)28(32)20-33-23-11-8-21(2)9-12-23/h4-13,18H,3,14-17,19-20H2,1-2H3/p+1