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

Systemtic Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-ethoxypropyl)propanamide Openeye Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-ethoxypropyl)propanamide CAS Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-ethoxypropyl)propanamide IUPAC Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-ethoxypropyl)propanamide Traditional Name: 3-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-ethoxypropyl)propionamide Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-3-5-10-19-17-23(16-18-9-6-7-11-20(18)26-19)14-12-21(24)22-13-8-15-25-4-2/h6-7,9,11,19H,3-5,8,10,12-17H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1