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

Systemtic Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(2-pyridyl)ethyl]propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CCCC[C@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C23H31N3O2/c1-2-3-10-21-18-26(17-19-8-4-5-11-22(19)28-21)16-13-23(27)25-15-12-20-9-6-7-14-24-20/h4-9,11,14,21H,2-3,10,12-13,15-18H2,1H3,(H,25,27)/p+1/t21-/m0/s1