4-(furan-3-ylmethyl)-9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(furan-3-ylmethyl)-9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(3-furylmethyl)-9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(3-furanylmethyl)-9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(furan-3-ylmethyl)-9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(3-furfuryl)-9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H24NO3+ MolecularWeight: 350.43086

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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=COC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=COC=C4

InChI

InChI=1S/C22H23NO3/c1-16-3-5-18(6-4-16)19-11-20-14-23(13-17-7-9-25-15-17)8-10-26-22(20)21(12-19)24-2/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3/p+1