9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-(3-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(E)-2-methylbut-2-enyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H26N2O2/c1-4-17(2)15-26-9-10-28-24-21(16-26)12-19(13-23(24)27-3)20-11-18-7-5-6-8-22(18)25-14-20/h4-8,11-14H,9-10,15-16H2,1-3H3/p+1/b17-4+