9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(6-methoxy-2-pyridinyl)-4-[(3-methyl-2-thiophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(6-methoxypyridin-2-yl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(6-methoxy-2-pyridyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=NC(=CC=C4)OC

InChI

InChI=1S/C22H24N2O3S/c1-15-7-10-28-20(15)14-24-8-9-27-22-17(13-24)11-16(12-19(22)25-2)18-5-4-6-21(23-18)26-3/h4-7,10-12H,8-9,13-14H2,1-3H3/p+1