7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(6,7-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-4-(3-thiophenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(6,7-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(3-thenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H29N2O4S+ MolecularWeight: 477.59516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CSC=C5

Isomeric SMILES

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CSC=C5

InChI

InChI=1S/C27H28N2O4S/c1-17-9-22(28-23-13-25(31-3)24(30-2)12-21(17)23)19-10-20-15-29(14-18-5-8-34-16-18)6-7-33-27(20)26(11-19)32-4/h5,8-13,16H,6-7,14-15H2,1-4H3/p+1