[(2R)-2-[4-(4-tert-butylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2R)-2-[4-(4-tert-butylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2R)-2-[4-(4-tert-butylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2R)-2-[4-[(4-tert-butylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [(2R)-2-[4-(4-tert-butylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxypropyl]-dimethylazanium Traditional Name: [(2R)-2-[4-(4-tert-butylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C25H35N2O3+ MolecularWeight: 411.557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C(C)(C[NH+](C)C)O

Isomeric SMILES

C[C@](C[NH+](C)C)(C1=CC2=C(C=C1)OCCN(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)O

InChI

InChI=1S/C25H34N2O3/c1-24(2,3)20-9-7-18(8-10-20)23(28)27-13-14-30-22-12-11-21(15-19(22)16-27)25(4,29)17-26(5)6/h7-12,15,29H,13-14,16-17H2,1-6H3/p+1/t25-/m0/s1