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

Systemtic Name: 9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-4-(3-methylsulfanylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-(3-methylsulfanylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolinyl)-4-[3-(methylthio)propyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-4-(3-methylsulfanylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-[3-(methylthio)propyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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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)CCCSC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-17-13-21(26-24-20(17)7-5-8-22(24)28-2)18-14-19-16-27(9-6-12-31-4)10-11-30-25(19)23(15-18)29-3/h5,7-8,13-15H,6,9-12,16H2,1-4H3/p+1