3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-methylsulfanylpropyl)propanamide

Systemtic Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-methylsulfanylpropyl)propanamide Openeye Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-methylsulfanylpropyl)propanamide CAS Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(methylthio)propyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-methylsulfanylpropyl)propanamide Traditional Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(methylthio)propyl]propionamide Formula: C20H33N2O2S+ MolecularWeight: 365.55322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCCSC

Isomeric SMILES

CCCC[C@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCCSC

InChI

InChI=1S/C20H32N2O2S/c1-3-4-9-18-16-22(13-11-20(23)21-12-7-14-25-2)15-17-8-5-6-10-19(17)24-18/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1