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

Systemtic Name: 9-methoxy-4-[(5-methylfuran-2-yl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(5-methyl-2-furyl)methyl]-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(5-methyl-2-furanyl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(5-methylfuran-2-yl)methyl]-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(5-methyl-2-furyl)methyl]-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H26NO3+ MolecularWeight: 364.45744

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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=CC=C(O4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=C(O4)C

InChI

InChI=1S/C23H25NO3/c1-16-4-7-18(8-5-16)19-12-20-14-24(15-21-9-6-17(2)27-21)10-11-26-23(20)22(13-19)25-3/h4-9,12-13H,10-11,14-15H2,1-3H3/p+1