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

Systemtic Name: 3-[(2R)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-3-yloxyethyl)propanamide Openeye Name: 3-[(2R)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridyloxy)ethyl]propanamide CAS Name: 3-[(2R)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridinyloxy)ethyl]propanamide IUPAC Name: 3-[(2R)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyridin-3-yloxyethyl)propanamide Traditional Name: 3-[(2R)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(3-pyridyloxy)ethyl]propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCOC3=CN=CC=C3

Isomeric SMILES

CCCC[C@@H]1C[NH+](CC2=CC=CC=C2O1)CCC(=O)NCCOC3=CN=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-2-3-8-21-18-26(17-19-7-4-5-10-22(19)29-21)14-11-23(27)25-13-15-28-20-9-6-12-24-16-20/h4-7,9-10,12,16,21H,2-3,8,11,13-15,17-18H2,1H3,(H,25,27)/p+1/t21-/m1/s1