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

Systemtic Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(5-methyl-2-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(2-methoxyphenyl)methyl]-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(5-methyl-2-thienyl)-4-o-anisyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H26NO3S+ MolecularWeight: 396.52244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C23H25NO3S/c1-16-8-9-22(28-16)18-12-19-15-24(10-11-27-23(19)21(13-18)26-3)14-17-6-4-5-7-20(17)25-2/h4-9,12-13H,10-11,14-15H2,1-3H3/p+1