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

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(benzothiophen-3-yl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(benzothiophen-3-yl)-9-methoxy-4-propyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H24NO2S+ MolecularWeight: 354.48576

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CSC4=CC=CC=C43

Isomeric SMILES

CCC[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H23NO2S/c1-3-8-22-9-10-24-21-16(13-22)11-15(12-19(21)23-2)18-14-25-20-7-5-4-6-17(18)20/h4-7,11-12,14H,3,8-10,13H2,1-2H3/p+1