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

Systemtic Name: 9-methoxy-7-(4-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thiophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-(p-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=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(C=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(C=CS4)C

InChI

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