7-pyridin-3-yl-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-pyridin-3-yl-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(3-pyridyl)-4-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(3-pyridinyl)-4-(3-thiophenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-pyridin-3-yl-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(3-pyridyl)-4-(3-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C19H19N2O2S+ MolecularWeight: 339.43136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CSC=C3)C=C(C=C2O)C4=CN=CC=C4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CSC=C3)C=C(C=C2O)C4=CN=CC=C4

InChI

InChI=1S/C19H18N2O2S/c22-18-9-16(15-2-1-4-20-10-15)8-17-12-21(5-6-23-19(17)18)11-14-3-7-24-13-14/h1-4,7-10,13,22H,5-6,11-12H2/p+1