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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

InChI

InChI=1S/C25H29N3O2/c1-18-8-10-21(11-9-18)28-19(2)16-22(20(28)3)25(30)17-26-12-14-27(15-13-26)23-6-4-5-7-24(23)29/h4-11,16,29H,12-15,17H2,1-3H3/p+1