[4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: [4-(3,3-dimethyl-1-oxobutyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(3,3-dimethylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC(C)(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CC(C)(C)C

InChI

InChI=1S/C24H33N3O2/c1-5-26(16-19-8-10-25-11-9-19)17-20-6-7-22-21(14-20)18-27(12-13-29-22)23(28)15-24(2,3)4/h6-11,14H,5,12-13,15-18H2,1-4H3/p+1