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

Systemtic Name: 4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(E)-2-methyl-3-phenyl-allyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(E)-2-methyl-3-phenyl-allyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H25N2O2+ MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2/c1-18(12-19-6-3-2-4-7-19)16-26-10-11-28-24-22(17-26)13-21(14-23(24)27)20-8-5-9-25-15-20/h2-9,12-15,27H,10-11,16-17H2,1H3/p+1/b18-12+