2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H26N4O3/c26-19-6-2-1-5-18(19)24-11-9-23(10-12-24)15-20(27)16-13-17(22-14-16)21(28)25-7-3-4-8-25/h1-2,5-6,13-14,22,26H,3-4,7-12,15H2/p+1