2-[(2R)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(quinolin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(quinolin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-quinolylmethyl)acetamide CAS Name: 2-[(2R)-7-methyl-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-quinolinylmethyl)acetamide IUPAC Name: 2-[(2R)-7-methyl-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(quinolin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-7-methyl-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-quinolylmethyl)acetamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)CC(=O)NCC3=CC4=CC=CC=C4N=C3)C5=CSC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C[NH+](C2)CC(=O)NCC3=CC4=CC=CC=C4N=C3)C5=CSC=C5

InChI

InChI=1S/C26H25N3O2S/c1-18-6-7-24-22(10-18)14-29(15-25(31-24)21-8-9-32-17-21)16-26(30)28-13-19-11-20-4-2-3-5-23(20)27-12-19/h2-12,17,25H,13-16H2,1H3,(H,28,30)/p+1/t25-/m0/s1