9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-(2-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolinyl)-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-4-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-(2-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CC=CS5

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CC=CS5

InChI

InChI=1S/C26H26N2O3S/c1-17-12-22(27-25-21(17)7-4-8-23(25)29-2)18-13-19-15-28(16-20-6-5-11-32-20)9-10-31-26(19)24(14-18)30-3/h4-8,11-14H,9-10,15-16H2,1-3H3/p+1