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

Systemtic Name: tert-butyl 1-[4-[[4-(2-hydroxyethyloxy)-2-methyl-phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-[[4-(2-hydroxyethoxy)-2-methyl-phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-[[4-(2-hydroxyethoxy)-2-methylanilino]-oxomethyl]phenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[[4-(2-hydroxyethoxy)-2-methylphenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-[[4-(2-hydroxyethoxy)-2-methyl-phenyl]carbamoyl]phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCO)NC(=O)C2=CC=C(C=C2)[N+]3(CCNCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCO)NC(=O)C2=CC=C(C=C2)[N+]3(CCNCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O5/c1-18-17-21(32-16-15-29)9-10-22(18)27-23(30)19-5-7-20(8-6-19)28(13-11-26-12-14-28)24(31)33-25(2,3)4/h5-10,17,26,29H,11-16H2,1-4H3/p+1