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

Systemtic Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C27H30N3O2+ MolecularWeight: 428.546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-2-30-25-11-7-6-10-23(25)24-18-21(12-13-26(24)30)19-28-14-16-29(17-15-28)27(31)20-32-22-8-4-3-5-9-22/h3-13,18H,2,14-17,19-20H2,1H3/p+1