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

Systemtic Name: 7-chloranyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-chloro-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-chloro-4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-chloro-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-chloro-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H18ClN2O2S+ MolecularWeight: 361.86572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCOC4=C(C3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCOC4=C(C3)C=C(C=C4)Cl

InChI

InChI=1S/C18H17ClN2O2S/c1-12-15(20-18(23-12)17-3-2-8-24-17)11-21-6-7-22-16-5-4-14(19)9-13(16)10-21/h2-5,8-9H,6-7,10-11H2,1H3/p+1