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

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(benzothiophen-3-yl)-4-isopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(benzothiophen-3-yl)-4-isopropyl-9-methoxy-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:

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

Isomeric SMILES

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

InChI

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