[4-[2-azanyl-3-methyl-2-(3-methylbutylamino)-3-oxidanyl-butyl]phenyl]carbonyl-tert-butyl-oxidanylidene-azanium

Systemtic Name: [4-[2-azanyl-3-methyl-2-(3-methylbutylamino)-3-oxidanyl-butyl]phenyl]carbonyl-tert-butyl-oxidanylidene-azanium Openeye Name: [4-[2-amino-3-hydroxy-2-(isopentylamino)-3-methyl-butyl]benzoyl]-tert-butyl-oxo-ammonium CAS Name: [[4-[2-amino-3-hydroxy-3-methyl-2-(3-methylbutylamino)butyl]phenyl]-oxomethyl]-tert-butyl-oxoammonium IUPAC Name: [4-[2-amino-3-hydroxy-3-methyl-2-(3-methylbutylamino)butyl]benzoyl]-tert-butyl-oxoazanium Traditional Name: [4-[2-amino-3-hydroxy-2-(isoamylamino)-3-methyl-butyl]benzoyl]-tert-butyl-keto-ammonium Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC1=CC=C(C=C1)C(=O)[N+](=O)C(C)(C)C)(C(C)(C)O)N

Isomeric SMILES

CC(C)CCNC(CC1=CC=C(C=C1)C(=O)[N+](=O)C(C)(C)C)(C(C)(C)O)N

InChI

InChI=1S/C21H36N3O3/c1-15(2)12-13-23-21(22,20(6,7)26)14-16-8-10-17(11-9-16)18(25)24(27)19(3,4)5/h8-11,15,23,26H,12-14,22H2,1-7H3/q+1