1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C25H30N3O2+ MolecularWeight: 404.5246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C25H29N3O2/c1-19-16-22(20(2)28(19)17-21-8-4-3-5-9-21)25(30)18-26-12-14-27(15-13-26)23-10-6-7-11-24(23)29/h3-11,16,29H,12-15,17-18H2,1-2H3/p+1