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

Systemtic Name: 4-[(E)-2-methylbut-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(E)-2-methylbut-2-enyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(E)-2-methylbut-2-enyl]-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(E)-2-methylbut-2-enyl]-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(E)-2-methylbut-2-enyl]-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CN=CC=C3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CN=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-3-14(2)12-21-7-8-23-19-17(13-21)9-16(10-18(19)22)15-5-4-6-20-11-15/h3-6,9-11,22H,7-8,12-13H2,1-2H3/p+1/b14-3+