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

Systemtic Name: 4-acetamido-N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]benzamide Openeye Name: 4-acetamido-N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]benzamide CAS Name: 4-acetamido-N-[2-[(2S)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]benzamide IUPAC Name: 4-acetamido-N-[2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]benzamide Traditional Name: 4-acetamido-N-[2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]benzamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NCC[NH+]2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NCC[NH+]2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C24H25N3O3S/c1-17(28)26-21-8-6-18(7-9-21)24(29)25-11-12-27-14-19-4-2-3-5-22(19)30-23(15-27)20-10-13-31-16-20/h2-10,13,16,23H,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/p+1/t23-/m1/s1