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

Systemtic Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-yloxypropyl)propanamide Openeye Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyloxy)propyl]propanamide CAS Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridinyloxy)propyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-pyridin-3-yloxypropyl)propanamide Traditional Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(3-pyridyloxy)propyl]propionamide Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCCOC3=CN=CC=C3

Isomeric SMILES

CCCC[C@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCCOC3=CN=CC=C3

InChI

InChI=1S/C24H33N3O3/c1-2-3-9-22-19-27(18-20-8-4-5-11-23(20)30-22)15-12-24(28)26-14-7-16-29-21-10-6-13-25-17-21/h4-6,8,10-11,13,17,22H,2-3,7,9,12,14-16,18-19H2,1H3,(H,26,28)/p+1/t22-/m0/s1