4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(E)-3-(4-methoxyphenyl)allyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(E)-3-(4-methoxyphenyl)allyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H25N2O3+ MolecularWeight: 389.4669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4

InChI

InChI=1S/C24H24N2O3/c1-28-21-9-7-18(8-10-21)5-4-12-26-13-14-29-24-20(17-26)15-19(16-23(24)27)22-6-2-3-11-25-22/h2-11,15-16,27H,12-14,17H2,1H3/p+1/b5-4+