4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCOC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCOC4=CC=CC=C4C3

InChI

InChI=1S/C18H18N2O2S/c1-13-16(19-18(22-13)15-6-9-23-12-15)11-20-7-8-21-17-5-3-2-4-14(17)10-20/h2-6,9,12H,7-8,10-11H2,1H3/p+1