1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-phenethyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Formula: C27H33FN3O+ MolecularWeight: 434.568823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32FN3O/c1-21-18-26(22(2)31(21)19-24-8-10-25(28)11-9-24)27(32)20-30-16-14-29(15-17-30)13-12-23-6-4-3-5-7-23/h3-11,18H,12-17,19-20H2,1-2H3/p+1