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

Systemtic Name: 9-methoxy-4-(2-methylpropyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isobutyl-9-methoxy-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-(2-methylpropyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-(2-methylpropyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isobutyl-9-methoxy-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H24NO2S+ MolecularWeight: 318.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=CS3

Isomeric SMILES

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=CS3

InChI

InChI=1S/C18H23NO2S/c1-13(2)11-19-6-7-21-18-15(12-19)9-14(10-16(18)20-3)17-5-4-8-22-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3/p+1