tert-butyl 2-azanyl-3-[butyl(tert-butyl)carbamoyl]-3-oxidanyl-1-phenyl-piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-3-[butyl(tert-butyl)carbamoyl]-3-oxidanyl-1-phenyl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-amino-3-[butyl(tert-butyl)carbamoyl]-3-hydroxy-1-phenyl-piperazin-1-ium-1-carboxylate CAS Name: 2-amino-3-[[butyl(tert-butyl)amino]-oxomethyl]-3-hydroxy-1-phenyl-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-[butyl(tert-butyl)carbamoyl]-3-hydroxy-1-phenylpiperazin-1-ium-1-carboxylate Traditional Name: 2-amino-3-[butyl(tert-butyl)carbamoyl]-3-hydroxy-1-phenyl-piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H41N4O4+ MolecularWeight: 449.60674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1(C([N+](CCN1)(C2=CC=CC=C2)C(=O)OC(C)(C)C)N)O)C(C)(C)C

Isomeric SMILES

CCCCN(C(=O)C1(C([N+](CCN1)(C2=CC=CC=C2)C(=O)OC(C)(C)C)N)O)C(C)(C)C

InChI

InChI=1S/C24H41N4O4/c1-8-9-16-27(22(2,3)4)20(29)24(31)19(25)28(17-15-26-24,18-13-11-10-12-14-18)21(30)32-23(5,6)7/h10-14,19,26,31H,8-9,15-17,25H2,1-7H3/q+1