9-methoxy-4-[(3-methylthiophen-2-yl)methyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(3-methylthiophen-2-yl)methyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(3-methyl-2-thiophenyl)methyl]-7-(3-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(3-methylthiophen-2-yl)methyl]-7-quinolin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(3-methyl-2-thienyl)methyl]-7-(3-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H24N2O2S/c1-17-7-10-30-24(17)16-27-8-9-29-25-21(15-27)12-19(13-23(25)28-2)20-11-18-5-3-4-6-22(18)26-14-20/h3-7,10-14H,8-9,15-16H2,1-2H3/p+1