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

Systemtic Name: 5-ethanoyl-N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-2-carboxamide Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCC[NH+]2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCC[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3S/c1-17(27)22-11-12-23(30-22)24(28)25-13-14-26-15-19-9-5-6-10-20(19)29-21(16-26)18-7-3-2-4-8-18/h2-12,21H,13-16H2,1H3,(H,25,28)/p+1/t21-/m1/s1