1,4-dithiepan-6-yl-[(8-methoxyquinolin-5-yl)methyl]-methyl-azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(8-methoxyquinolin-5-yl)methyl]-methyl-azanium Openeye Name: 1,4-dithiepan-6-yl-[(8-methoxy-5-quinolyl)methyl]-methyl-ammonium CAS Name: 1,4-dithiepan-6-yl-[(8-methoxy-5-quinolinyl)methyl]-methylammonium IUPAC Name: 1,4-dithiepan-6-yl-[(8-methoxyquinolin-5-yl)methyl]-methylazanium Traditional Name: 1,4-dithiepan-6-yl-[(8-methoxy-5-quinolyl)methyl]-methyl-ammonium Formula: C17H23N2OS2+ MolecularWeight: 335.50732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C2C=CC=NC2=C(C=C1)OC)C3CSCCSC3

Isomeric SMILES

C[NH+](CC1=C2C=CC=NC2=C(C=C1)OC)C3CSCCSC3

InChI

InChI=1S/C17H22N2OS2/c1-19(14-11-21-8-9-22-12-14)10-13-5-6-16(20-2)17-15(13)4-3-7-18-17/h3-7,14H,8-12H2,1-2H3/p+1