dimethyl-[(1-methyl-10-oxidanylidene-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl]azanium

Systemtic Name: dimethyl-[(1-methyl-10-oxidanylidene-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl]azanium Openeye Name: dimethyl-[(1-methyl-10-oxo-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl]ammonium CAS Name: dimethyl-[(1-methyl-10-oxo-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl]ammonium IUPAC Name: dimethyl-[(1-methyl-10-oxo-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl]azanium Traditional Name: (10-keto-1-methyl-5H-thieno[3,4-c][2]benzothiepin-3-yl)methyl-dimethyl-ammonium Formula: C16H18NOS2+ MolecularWeight: 304.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C[NH+](C)C)SCC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C2C(=C(S1)C[NH+](C)C)SCC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17NOS2/c1-10-14-15(18)12-7-5-4-6-11(12)9-19-16(14)13(20-10)8-17(2)3/h4-7H,8-9H2,1-3H3/p+1