[4-[[(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]methyl]-5,5,6-trimethyl-cyclohexa-1,3-dien-1-yl]carbonyl-tert-butyl-oxidanylidene-azanium

Systemtic Name: [4-[[(3-azanyl-2-oxidanyl-4-phenyl-butyl)amino]methyl]-5,5,6-trimethyl-cyclohexa-1,3-dien-1-yl]carbonyl-tert-butyl-oxidanylidene-azanium Openeye Name: [4-[[(3-amino-2-hydroxy-4-phenyl-butyl)amino]methyl]-5,5,6-trimethyl-cyclohexa-1,3-diene-1-carbonyl]-tert-butyl-oxo-ammonium CAS Name: [[4-[[(3-amino-2-hydroxy-4-phenylbutyl)amino]methyl]-5,5,6-trimethyl-1-cyclohexa-1,3-dienyl]-oxomethyl]-tert-butyl-oxoammonium IUPAC Name: [4-[[(3-amino-2-hydroxy-4-phenylbutyl)amino]methyl]-5,5,6-trimethylcyclohexa-1,3-diene-1-carbonyl]-tert-butyl-oxoazanium Traditional Name: [4-[[(3-amino-2-hydroxy-4-phenyl-butyl)amino]methyl]-5,5,6-trimethyl-cyclohexa-1,3-diene-1-carbonyl]-tert-butyl-keto-ammonium Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC=C(C1(C)C)CNCC(C(CC2=CC=CC=C2)N)O)C(=O)[N+](=O)C(C)(C)C

Isomeric SMILES

CC1C(=CC=C(C1(C)C)CNCC(C(CC2=CC=CC=C2)N)O)C(=O)[N+](=O)C(C)(C)C

InChI

InChI=1S/C25H38N3O3/c1-17-20(23(30)28(31)24(2,3)4)13-12-19(25(17,5)6)15-27-16-22(29)21(26)14-18-10-8-7-9-11-18/h7-13,17,21-22,27,29H,14-16,26H2,1-6H3/q+1