ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H30N4O4/c1-2-28-20(27)24-9-7-16(8-10-24)21-19(26)15-22-11-13-23(14-12-22)17-5-3-4-6-18(17)25/h3-6,16,25H,2,7-15H2,1H3,(H,21,26)/p+1