ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H28N4O4/c1-2-27-19(26)23-13-11-22(12-14-23)18(25)15-20-7-9-21(10-8-20)16-5-3-4-6-17(16)24/h3-6,24H,2,7-15H2,1H3/p+1