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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-28-22-8-6-18(7-9-22)4-3-11-26-12-13-29-24-21(17-26)14-20(15-23(24)27)19-5-2-10-25-16-19/h2-10,14-16,27H,11-13,17H2,1H3/p+1/b4-3+