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

Systemtic Name: 9-methoxy-7-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(5-methyl-2-thienyl)methyl]-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(2-methylphenyl)-4-[(5-methyl-2-thiophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(5-methyl-2-thienyl)methyl]-7-(o-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H26NO2S+ MolecularWeight: 380.52304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=C(S4)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=C(S4)C

InChI

InChI=1S/C23H25NO2S/c1-16-6-4-5-7-21(16)18-12-19-14-24(15-20-9-8-17(2)27-20)10-11-26-23(19)22(13-18)25-3/h4-9,12-13H,10-11,14-15H2,1-3H3/p+1