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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C

InChI

InChI=1S/C20H27N3O2/c1-4-23-15(2)13-17(16(23)3)20(25)14-21-9-11-22(12-10-21)18-7-5-6-8-19(18)24/h5-8,13,24H,4,9-12,14H2,1-3H3/p+1