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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H29N3O2/c1-15(2)24-16(3)13-20(17(24)4)21(26)14-22-9-11-23(12-10-22)18-5-7-19(25)8-6-18/h5-8,13,15,25H,9-12,14H2,1-4H3/p+1