(2R)-7-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2R)-7-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2R)-7-methyl-4-[(6-methyl-2-pyridyl)methyl]-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2R)-7-methyl-4-[(6-methyl-2-pyridinyl)methyl]-2-(3-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2R)-7-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-thiophen-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2R)-7-methyl-4-[(6-methyl-2-pyridyl)methyl]-2-(3-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C[NH+](C2)CC3=CC=CC(=N3)C)C4=CSC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C[NH+](C2)CC3=CC=CC(=N3)C)C4=CSC=C4

InChI

InChI=1S/C21H22N2OS/c1-15-6-7-20-18(10-15)11-23(12-19-5-3-4-16(2)22-19)13-21(24-20)17-8-9-25-14-17/h3-10,14,21H,11-13H2,1-2H3/p+1/t21-/m0/s1