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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-isobutyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-isobutyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2O2S/c1-14(2)12-23-8-9-25-20-16(13-23)10-15(11-18(20)24-3)21-22-17-6-4-5-7-19(17)26-21/h4-7,10-11,14H,8-9,12-13H2,1-3H3/p+1