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

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethanamide Openeye Name: N-(3-pyridylmethyl)-2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide CAS Name: N-(3-pyridinylmethyl)-2-[(2S)-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[(2S)-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Traditional Name: N-(3-pyridylmethyl)-2-[(2S)-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]acetamide Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCC3=CN=CC=C3)C4=CSC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCC3=CN=CC=C3)C4=CSC=C4

InChI

InChI=1S/C21H21N3O2S/c25-21(23-11-16-4-3-8-22-10-16)14-24-12-17-5-1-2-6-19(17)26-20(13-24)18-7-9-27-15-18/h1-10,15,20H,11-14H2,(H,23,25)/p+1/t20-/m1/s1