4-[(1-methylpyrrol-2-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(1-methylpyrrol-2-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(1-methylpyrrol-2-yl)methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(1-methyl-2-pyrrolyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(1-methylpyrrol-2-yl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(1-methylpyrrol-2-yl)methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

InChI

InChI=1S/C19H20N2O2S/c1-20-6-2-4-16(20)13-21-7-8-23-19-15(12-21)10-14(11-17(19)22)18-5-3-9-24-18/h2-6,9-11,22H,7-8,12-13H2,1H3/p+1