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

Systemtic Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[(2S)-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1C[NH+](CC2=CC=CC=C2O1)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O2S/c1-13-11-19(12-14-5-2-3-6-15(14)21-13)9-8-18-17(20)16-7-4-10-22-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,18,20)/p+1/t13-/m0/s1