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

Systemtic Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-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)C(=O)CC4=CC=CC=C4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CC4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C27H29N3O/c1-2-30-25-11-7-6-10-23(25)24-18-22(12-13-26(24)30)20-28-14-16-29(17-15-28)27(31)19-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3/p+1