4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-7-thiophen-2-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-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(E)-2-methyl-3-phenyl-allyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(E)-2-methyl-3-phenylprop-2-enyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(E)-2-methyl-3-phenyl-allyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H24NO2S+ MolecularWeight: 378.50716

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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=CC=CS4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

InChI

InChI=1S/C23H23NO2S/c1-17(12-18-6-3-2-4-7-18)15-24-9-10-26-23-20(16-24)13-19(14-21(23)25)22-8-5-11-27-22/h2-8,11-14,25H,9-10,15-16H2,1H3/p+1/b17-12+