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

Systemtic Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(2-thienyl)acetamide CAS Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-(2-thienyl)acetamide Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)CC3=CC=CS3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c1-14-12-20(13-15-5-2-3-7-17(15)22-14)9-8-19-18(21)11-16-6-4-10-23-16/h2-7,10,14H,8-9,11-13H2,1H3,(H,19,21)/p+1/t14-/m0/s1