9-methoxy-4-(2-methylpropyl)-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-(2-methylpropyl)-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isobutyl-9-methoxy-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-(2-methylpropyl)-7-(5-methyl-2-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-(2-methylpropyl)-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isobutyl-9-methoxy-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H26NO2S+ MolecularWeight: 332.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC(C)C

InChI

InChI=1S/C19H25NO2S/c1-13(2)11-20-7-8-22-19-16(12-20)9-15(10-17(19)21-4)18-6-5-14(3)23-18/h5-6,9-10,13H,7-8,11-12H2,1-4H3/p+1