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

Systemtic Name: 1-[4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O/c1-3-30-26-7-5-4-6-24(26)25-18-21(8-13-27(25)30)19-28-14-16-29(17-15-28)23-11-9-22(10-12-23)20(2)31/h4-13,18H,3,14-17,19H2,1-2H3/p+1