N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-thienyl)acetamide CAS Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-3-ylacetamide Traditional Name: N-[2-[(2S)-2-butyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(3-thienyl)acetamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)CC3=CSC=C3

Isomeric SMILES

CCCC[C@H]1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)CC3=CSC=C3

InChI

InChI=1S/C21H28N2O2S/c1-2-3-7-19-15-23(14-18-6-4-5-8-20(18)25-19)11-10-22-21(24)13-17-9-12-26-16-17/h4-6,8-9,12,16,19H,2-3,7,10-11,13-15H2,1H3,(H,22,24)/p+1/t19-/m0/s1