4-[(4-methoxynaphthalen-1-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(4-methoxynaphthalen-1-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-methoxy-1-naphthyl)methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-methoxy-1-naphthalenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-methoxynaphthalen-1-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(4-methoxy-1-naphthyl)methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C25H24NO3S+ MolecularWeight: 418.52796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCOC4=C(C3)C=C(C=C4O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCOC4=C(C3)C=C(C=C4O)C5=CC=CS5

InChI

InChI=1S/C25H23NO3S/c1-28-23-9-8-17(20-5-2-3-6-21(20)23)15-26-10-11-29-25-19(16-26)13-18(14-22(25)27)24-7-4-12-30-24/h2-9,12-14,27H,10-11,15-16H2,1H3/p+1