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

Systemtic Name: N-(3-pyridin-3-yloxypropyl)-2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanamide Openeye Name: N-[3-(3-pyridyloxy)propyl]-2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide CAS Name: N-[3-(3-pyridinyloxy)propyl]-2-[(2S)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide IUPAC Name: N-(3-pyridin-3-yloxypropyl)-2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Traditional Name: N-[3-(3-pyridyloxy)propyl]-2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCCCOC3=CN=CC=C3)C4=CSC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCCCOC3=CN=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H25N3O3S/c27-23(25-10-4-11-28-20-6-3-9-24-13-20)16-26-14-18-5-1-2-7-21(18)29-22(15-26)19-8-12-30-17-19/h1-3,5-9,12-13,17,22H,4,10-11,14-16H2,(H,25,27)/p+1/t22-/m1/s1