tert-butyl 1-[4-[[4-(2-hydroxyethyloxy)phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-[[4-(2-hydroxyethyloxy)phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-[[4-(2-hydroxyethoxy)phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-[[4-(2-hydroxyethoxy)anilino]-oxomethyl]phenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[[4-(2-hydroxyethoxy)phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-[[4-(2-hydroxyethoxy)phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H32N3O5+ MolecularWeight: 442.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OCCO

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OCCO

InChI

InChI=1S/C24H31N3O5/c1-24(2,3)32-23(30)27(14-12-25-13-15-27)20-8-4-18(5-9-20)22(29)26-19-6-10-21(11-7-19)31-17-16-28/h4-11,25,28H,12-17H2,1-3H3/p+1